From 35c4754fa4e7cfff45eda9c75ffaa6921e3e86e9 Mon Sep 17 00:00:00 2001 From: Alexey Shvetsov Date: Sun, 14 Jul 2013 16:19:09 +0400 Subject: [PATCH] nb_kernel_avx_128_fma_single: clean up -Wunused-parameter warnings Clean up (most) of unused params Change-Id: I4cd73a5863349a44b11fa9480685ef25df4bed26 Signed-off-by: Alexey Shvetsov --- ...Tab_VdwCSTab_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...Tab_VdwCSTab_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...Tab_VdwCSTab_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...Tab_VdwCSTab_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...Tab_VdwCSTab_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...cCSTab_VdwLJ_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...cCSTab_VdwLJ_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...cCSTab_VdwLJ_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...cCSTab_VdwLJ_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...cCSTab_VdwLJ_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...STab_VdwNone_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...STab_VdwNone_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...STab_VdwNone_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...STab_VdwNone_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...STab_VdwNone_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...oul_VdwCSTab_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...oul_VdwCSTab_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...oul_VdwCSTab_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...oul_VdwCSTab_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...oul_VdwCSTab_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...ecCoul_VdwLJ_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecCoul_VdwLJ_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecCoul_VdwLJ_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...ecCoul_VdwLJ_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecCoul_VdwLJ_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...Coul_VdwNone_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...Coul_VdwNone_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...Coul_VdwNone_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...Coul_VdwNone_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...Coul_VdwNone_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSh_VdwLJSh_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSh_VdwLJSh_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSh_VdwLJSh_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSh_VdwLJSh_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSh_VdwLJSh_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSh_VdwNone_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSh_VdwNone_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSh_VdwNone_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSh_VdwNone_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSh_VdwNone_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSw_VdwLJSw_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSw_VdwLJSw_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSw_VdwLJSw_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSw_VdwLJSw_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSw_VdwLJSw_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSw_VdwNone_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSw_VdwNone_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSw_VdwNone_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSw_VdwNone_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...EwSw_VdwNone_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...cEw_VdwCSTab_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...cEw_VdwCSTab_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...cEw_VdwCSTab_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...cEw_VdwCSTab_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...cEw_VdwCSTab_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecEw_VdwLJ_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecEw_VdwLJ_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecEw_VdwLJ_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecEw_VdwLJ_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecEw_VdwLJ_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...ecEw_VdwNone_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecEw_VdwNone_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecEw_VdwNone_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...ecEw_VdwNone_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecEw_VdwNone_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...cGB_VdwCSTab_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecGB_VdwLJ_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecGB_VdwNone_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...one_VdwCSTab_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...None_VdwLJSh_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...None_VdwLJSw_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecNone_VdwLJ_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...Cut_VdwCSTab_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...Cut_VdwCSTab_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...Cut_VdwCSTab_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...Cut_VdwCSTab_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...Cut_VdwCSTab_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwLJSh_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwLJSh_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwLJSh_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwLJSh_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwLJSh_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwLJSw_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwLJSw_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwLJSw_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwLJSw_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwLJSw_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwNone_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwNone_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwNone_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwNone_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...FCut_VdwNone_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...cRF_VdwCSTab_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...cRF_VdwCSTab_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...cRF_VdwCSTab_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...cRF_VdwCSTab_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...cRF_VdwCSTab_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecRF_VdwLJ_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecRF_VdwLJ_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecRF_VdwLJ_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecRF_VdwLJ_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ElecRF_VdwLJ_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- ...ecRF_VdwNone_GeomP1P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecRF_VdwNone_GeomW3P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecRF_VdwNone_GeomW3W3_avx_128_fma_single.c | 70 ++++++++++++------- ...ecRF_VdwNone_GeomW4P1_avx_128_fma_single.c | 70 ++++++++++++------- ...ecRF_VdwNone_GeomW4W4_avx_128_fma_single.c | 70 ++++++++++++------- .../nb_kernel_avx_128_fma_single.c | 42 +++++++---- .../nb_kernel_template_avx_128_fma_single.pre | 14 ++-- 109 files changed, 4637 insertions(+), 2909 deletions(-) diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_single.c index a543d15174..413e8753d2 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -446,13 +462,13 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_single.c index ef8ce2f9db..23abaac12c 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -686,13 +702,13 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_single.c index 8403c41202..187b32b4f5 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1282,13 +1298,13 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_single.c index c08561fb57..32ed293048 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -769,13 +785,13 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_single.c index af14ed3d97..a2d5f65e39 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1373,13 +1389,13 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_single.c index bc506e3b10..86e2a26e9e 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -410,13 +426,13 @@ nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_single.c index 9d5348832a..ea75ac0d15 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -650,13 +666,13 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_single.c index 7dc62475dd..718d02397b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1246,13 +1262,13 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_single.c index 06797b62da..4d59009a1c 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -704,13 +720,13 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_single.c index c4829c07bf..81f8df5db2 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1308,13 +1324,13 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_single.c index 66c8838d88..949c36b06a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -357,13 +373,13 @@ nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwNone_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_single.c index 5fe6ef95d9..0015f1a0fd 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -597,13 +613,13 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwNone_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_single.c index e006a561c2..e00e37f9de 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1208,13 +1224,13 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwNone_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_single.c index 96dc15a0c7..4c79bd3728 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -597,13 +613,13 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwNone_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_single.c index 5c8ba58d94..c67411d002 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1208,13 +1224,13 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecCSTab_VdwNone_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_single.c index be795fbd2d..bc939ab800 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -432,13 +448,13 @@ nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_single.c index a5fc539381..0acdc7718c 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -590,13 +606,13 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_single.c index f8cc427786..52cb50b66a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -940,13 +956,13 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_single.c index b36881288d..f27a626339 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -646,13 +662,13 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_single.c index ae0acb24fb..9e85b8ef19 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1004,13 +1020,13 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_single.c index 9d5a018935..cd1d8e5759 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -360,13 +376,13 @@ nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwLJ_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_single.c index 17f8a6367e..7d8cee6ef2 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -518,13 +534,13 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwLJ_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_single.c index 5f4ccc2540..d42fe4f13b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -868,13 +884,13 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwLJ_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_single.c index 050a9e775c..2545944f9b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -574,13 +590,13 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwLJ_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_single.c index 88b8545696..c8a1ae0556 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -932,13 +948,13 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwLJ_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_single.c index 42f05bc964..16fbbfb738 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -311,13 +327,13 @@ nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwNone_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_single.c index 9752bf6f86..f5ef7312e7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -469,13 +485,13 @@ nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwNone_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_single.c index 58227d41ff..746ad04f22 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -834,13 +850,13 @@ nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwNone_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_single.c index 672473b050..8875f805af 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -469,13 +485,13 @@ nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwNone_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_single.c index 2bf2f4262c..d18883d24b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -834,13 +850,13 @@ nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecCoul_VdwNone_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_single.c index 2c22e6bc06..3395663ba2 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -425,13 +441,13 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_single.c index 72e6ddf8b2..3986e0d7b9 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -665,13 +681,13 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_single.c index 9932a0e543..9c58389745 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1261,13 +1277,13 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_single.c index 8fc1f35da3..ad090d54b8 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -739,13 +755,13 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_single.c index 3cad2a8d77..37378fbc44 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1343,13 +1359,13 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_single.c index c4190ec934..44e0a814af 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -369,13 +385,13 @@ nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSh_VdwNone_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_single.c index adefdb716a..ac8b17a25e 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -609,13 +625,13 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSh_VdwNone_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_single.c index a4c6812b67..d9b6f6c789 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1220,13 +1236,13 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecEwSh_VdwNone_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_single.c index 8fb3cc6048..cfa746b25d 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -609,13 +625,13 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSh_VdwNone_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_single.c index 225f7f75fe..dad76ead90 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1220,13 +1236,13 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecEwSh_VdwNone_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_single.c index d480836993..7909bede1c 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -460,13 +476,13 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_single.c index 6b7240e93a..990c1a7961 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -744,13 +760,13 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_single.c index cf94eb4fd0..3f5d26d6dd 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1472,13 +1488,13 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_single.c index bb098c6bdd..86f5990db7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -843,13 +859,13 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_single.c index 26572b67d4..660b57696b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1579,13 +1595,13 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_single.c index 116cd44e7d..7b99a34835 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -405,13 +421,13 @@ nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSw_VdwNone_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_single.c index ce9ce9bdc6..9e0d9c2985 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -689,13 +705,13 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSw_VdwNone_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_single.c index 20178eb0e4..c8948c37e5 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1432,13 +1448,13 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecEwSw_VdwNone_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_single.c index 2f319cb135..dc43fd1c87 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -689,13 +705,13 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecEwSw_VdwNone_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_single.c index 747984075c..7db433c43b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1432,13 +1448,13 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecEwSw_VdwNone_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_single.c index 972b5daba5..57c6e04b21 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -460,13 +476,13 @@ nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwCSTab_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_single.c index b4e1e065ff..5e1eba59ab 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -660,13 +676,13 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwCSTab_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_single.c index 40515aaf50..01c4872b43 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1136,13 +1152,13 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwCSTab_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_single.c index 583f1298bd..45886acef8 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -721,13 +737,13 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwCSTab_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_single.c index 5c4198b19b..7b8c2cd55f 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1205,13 +1221,13 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwCSTab_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_single.c index 7ac78a58a0..7fe93aea2a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -393,13 +409,13 @@ nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_single.c index 9fbcad1c3c..cf5bdbae33 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -593,13 +609,13 @@ nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwLJ_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_single.c index 37c57a6e78..0b7010eaaf 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1069,13 +1085,13 @@ nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwLJ_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_single.c index fad2c65181..4129425144 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -649,13 +665,13 @@ nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwLJ_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_single.c index 0715ab96f8..b60db9d929 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1133,13 +1149,13 @@ nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwLJ_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_single.c index ca24589e34..bb846299c7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -344,13 +360,13 @@ nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwNone_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_single.c index 263b26b790..f2dfa20e44 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -544,13 +560,13 @@ nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwNone_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_single.c index c8d79f1919..fb843d884b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1035,13 +1051,13 @@ nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwNone_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_single.c index 20e28a4763..0570fc2fee 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -544,13 +560,13 @@ nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwNone_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_single.c index 6a64f1edc0..32aba2f63b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1035,13 +1051,13 @@ nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecEw_VdwNone_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_single.c index bddbca0d18..b56819bd89 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -523,13 +539,13 @@ nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecGB_VdwCSTab_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_single.c index fc0ff76f4e..60e10bf61d 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -464,13 +480,13 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecGB_VdwLJ_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_single.c index 2470c88c5a..db86ceac7f 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -411,13 +427,13 @@ nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecGB_VdwNone_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_single.c index 30a54bf780..bb8cc0ee49 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -404,13 +420,13 @@ nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecNone_VdwCSTab_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_single.c index de7f2cb3f8..274a9e6ff7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -361,13 +377,13 @@ nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecNone_VdwLJSh_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_single.c index cc30dd4671..53b66f67dc 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -401,13 +417,13 @@ nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecNone_VdwLJSw_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_single.c index dc76084274..8ac4c88129 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -332,13 +348,13 @@ nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_single.c index 88264727e9..3442a4c119 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -462,13 +478,13 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_single.c index da83d09f84..e4ebcd474e 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -660,13 +676,13 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_single.c index db7a5530f3..6d144f53a2 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1130,13 +1146,13 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_single.c index 7efd9dc900..a568d95947 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -714,13 +730,13 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_single.c index f83146e733..be2f73a917 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1212,13 +1228,13 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_single.c index 1455983e8a..29ff188482 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -395,13 +411,13 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_single.c index 9bfa0bbfce..680f9da510 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -593,13 +609,13 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_single.c index 48e9cb77a4..7d035e6b62 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1063,13 +1079,13 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_single.c index a72c812afa..0f878d182c 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -667,13 +683,13 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_single.c index e87b5e41c4..b4433e78a5 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1145,13 +1161,13 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_single.c index 7e9da631d8..93355d8888 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -431,13 +447,13 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_single.c index 2b821a2d1b..11682bc2f5 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -629,13 +645,13 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_single.c index c9286f1542..fe406541ea 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1099,13 +1115,13 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_single.c index 086836a33d..74938a53c7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -705,13 +721,13 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_single.c index 417b232a49..42525d2c48 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1183,13 +1199,13 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_single.c index ebcf59569c..3a569756fe 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -339,13 +355,13 @@ nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwNone_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_single.c index f24ce00422..ffc5628746 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -537,13 +553,13 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwNone_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_single.c index 03e7cda178..222f72c3ad 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1022,13 +1038,13 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwNone_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_single.c index 784ebcf822..7041044d96 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -537,13 +553,13 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwNone_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_single.c index abaa918877..9f1781c97f 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1022,13 +1038,13 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecRFCut_VdwNone_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_single.c index a355ac4f79..0ca4ea7a98 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -435,13 +451,13 @@ nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwCSTab_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_single.c index 61285be3d5..1b645f296a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -593,13 +609,13 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwCSTab_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_single.c index 66afee2eba..fe5b9a42e8 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -943,13 +959,13 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwCSTab_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_single.c index faa8834790..36e2e045f7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -649,13 +665,13 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwCSTab_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_single.c index 9f46748b0b..ed3bc2b9a7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -1007,13 +1023,13 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwCSTab_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_single.c index 0e3143a7f4..e58b3676c5 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -363,13 +379,13 @@ nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwLJ_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_single.c index 524d12845a..9eacce5c73 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -521,13 +537,13 @@ nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwLJ_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_single.c index 4b615f8460..2678821049 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -871,13 +887,13 @@ nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwLJ_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_single.c index 3eb635aa9a..ec45d0efc6 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -577,13 +593,13 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwLJ_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_single.c index d8f6d3f891..b85638d2b7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -935,13 +951,13 @@ nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwLJ_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_single.c index 645daf96cb..6340e466af 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -314,13 +330,13 @@ nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwNone_GeomP1P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_single.c index 2add1292f2..ec42aa1104 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -472,13 +488,13 @@ nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwNone_GeomW3P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_single.c index 8133f357b3..09abac0633 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -837,13 +853,13 @@ nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwNone_GeomW3W3_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_single.c index 74874ec66d..2d92654916 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -472,13 +488,13 @@ nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwNone_GeomW4P1_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_single.c index dc1b16bb5b..dbf7378c52 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifdef HAVE_CONFIG_H #include @@ -42,13 +58,13 @@ */ void nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. @@ -837,13 +853,13 @@ nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_avx_128_fma_single */ void nb_kernel_ElecRF_VdwNone_GeomW4W4_F_avx_128_fma_single - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or * just 0 for non-waters. diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.c index dfc40d9261..8783ae2a6d 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.c @@ -1,23 +1,39 @@ /* - * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator. + * This file is part of the GROMACS molecular simulation package. * - * This source code is part of + * Copyright (c) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * 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. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * 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. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * 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. * - * This program 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 of the License, or (at your option) any - * later version. + * 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 fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly ask that you cite + * the research papers on the package. Check out http://www.gromacs.org. + */ +/* + * Note: this file was generated by the GROMACS avx_128_fma_single kernel generator. */ #ifndef nb_kernel_avx_128_fma_single_h #define nb_kernel_avx_128_fma_single_h diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_template_avx_128_fma_single.pre b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_template_avx_128_fma_single.pre index e99699cbbf..24c179bc6a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_template_avx_128_fma_single.pre +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_template_avx_128_fma_single.pre @@ -59,13 +59,13 @@ */ void {KERNEL_NAME} - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* ## Not all variables are used for all kernels, but any optimizing compiler fixes that, */ /* ## so there is no point in going to extremes to exclude variables that are not needed. */ -- 2.22.0