-/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+/*
+ * This file is part of the GROMACS molecular simulation package.
*
- *
- * This source code is part of
- *
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- * GROningen MAchine for Chemical Simulations
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- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2012, The GROMACS development team,
* check out http://www.gromacs.org for more information.
+ * Copyright (c) 2012, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
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+ * directory and at http://www.gromacs.org.
*
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
+ * GROMACS is free software; you can redistribute it and/or
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*/
#ifdef HAVE_CONFIG_H
#include <config.h>
#include "../nbnxn_consts.h"
#include "nbnxn_kernel_common.h"
-#ifdef GMX_X86_SSE2
+#ifdef GMX_NBNXN_SIMD_4XN
-#include "nbnxn_kernel_x86_simd128.h"
+#include "nbnxn_kernel_simd_4xn.h"
-/* Include all flavors of the 128-bit SSE or AVX kernel loops */
+/* Include all flavors of the SSE or AVX 4xN kernel loops */
+#if GMX_NBNXN_SIMD_BITWIDTH == 128
#define GMX_MM128_HERE
+#else
+#if GMX_NBNXN_SIMD_BITWIDTH == 256
+#define GMX_MM256_HERE
+#else
+#error "unsupported GMX_NBNXN_SIMD_BITWIDTH"
+#endif
+#endif
/* Analytical reaction-field kernels */
#define CALC_COUL_RF
-#include "nbnxn_kernel_x86_simd_includes.h"
+#include "nbnxn_kernel_simd_4xn_includes.h"
#undef CALC_COUL_RF
#define CALC_COUL_TAB
/* Single cut-off: rcoulomb = rvdw */
-#include "nbnxn_kernel_x86_simd_includes.h"
+#include "nbnxn_kernel_simd_4xn_includes.h"
/* Twin cut-off: rcoulomb >= rvdw */
#define VDW_CUTOFF_CHECK
-#include "nbnxn_kernel_x86_simd_includes.h"
+#include "nbnxn_kernel_simd_4xn_includes.h"
#undef VDW_CUTOFF_CHECK
#undef CALC_COUL_TAB
#define CALC_COUL_EWALD
/* Single cut-off: rcoulomb = rvdw */
-#include "nbnxn_kernel_x86_simd_includes.h"
+#include "nbnxn_kernel_simd_4xn_includes.h"
/* Twin cut-off: rcoulomb >= rvdw */
#define VDW_CUTOFF_CHECK
-#include "nbnxn_kernel_x86_simd_includes.h"
+#include "nbnxn_kernel_simd_4xn_includes.h"
#undef VDW_CUTOFF_CHECK
#undef CALC_COUL_EWALD
enum { coultRF, coultTAB, coultTAB_TWIN, coultEWALD, coultEWALD_TWIN, coultNR };
-#define NBK_FN(elec,ljcomb) nbnxn_kernel_x86_simd128_##elec##_comb_##ljcomb##_ener
+#define NBK_FN(elec,ljcomb) nbnxn_kernel_simd_4xn_##elec##_comb_##ljcomb##_ener
static p_nbk_func_ener p_nbk_ener[coultNR][ljcrNR] =
{ { NBK_FN(rf ,geom), NBK_FN(rf ,lb), NBK_FN(rf ,none) },
{ NBK_FN(tab ,geom), NBK_FN(tab ,lb), NBK_FN(tab ,none) },
{ NBK_FN(ewald_twin,geom), NBK_FN(ewald_twin,lb), NBK_FN(ewald_twin,none) } };
#undef NBK_FN
-#define NBK_FN(elec,ljcomb) nbnxn_kernel_x86_simd128_##elec##_comb_##ljcomb##_energrp
+#define NBK_FN(elec,ljcomb) nbnxn_kernel_simd_4xn_##elec##_comb_##ljcomb##_energrp
static p_nbk_func_ener p_nbk_energrp[coultNR][ljcrNR] =
{ { NBK_FN(rf ,geom), NBK_FN(rf ,lb), NBK_FN(rf ,none) },
{ NBK_FN(tab ,geom), NBK_FN(tab ,lb), NBK_FN(tab ,none) },
{ NBK_FN(ewald_twin,geom), NBK_FN(ewald_twin,lb), NBK_FN(ewald_twin,none) } };
#undef NBK_FN
-#define NBK_FN(elec,ljcomb) nbnxn_kernel_x86_simd128_##elec##_comb_##ljcomb##_noener
+#define NBK_FN(elec,ljcomb) nbnxn_kernel_simd_4xn_##elec##_comb_##ljcomb##_noener
static p_nbk_func_noener p_nbk_noener[coultNR][ljcrNR] =
{ { NBK_FN(rf ,geom), NBK_FN(rf ,lb), NBK_FN(rf ,none) },
{ NBK_FN(tab ,geom), NBK_FN(tab ,lb), NBK_FN(tab ,none) },
const real *VSvdw,const real *VSc,
real *Vvdw,real *Vc)
{
+ const int simd_width = GMX_SIMD_WIDTH_HERE;
+ const int unrollj_half = GMX_SIMD_WIDTH_HERE/2;
int ng_p2,i,j,j0,j1,c,s;
-#define SIMD_WIDTH (GMX_X86_SIMD_WIDTH_HERE)
-#define SIMD_WIDTH_HALF (GMX_X86_SIMD_WIDTH_HERE/2)
-
ng_p2 = (1<<ng_2log);
/* The size of the x86 SIMD energy group buffer array is:
- * ng*ng*ng_p2*SIMD_WIDTH_HALF*SIMD_WIDTH
+ * ng*ng*ng_p2*unrollj_half*simd_width
*/
for(i=0; i<ng; i++)
{
{
for(j0=0; j0<ng; j0++)
{
- c = ((i*ng + j1)*ng_p2 + j0)*SIMD_WIDTH_HALF*SIMD_WIDTH;
- for(s=0; s<SIMD_WIDTH_HALF; s++)
+ c = ((i*ng + j1)*ng_p2 + j0)*unrollj_half*simd_width;
+ for(s=0; s<unrollj_half; s++)
{
Vvdw[i*ng+j0] += VSvdw[c+0];
Vvdw[i*ng+j1] += VSvdw[c+1];
Vc [i*ng+j0] += VSc [c+0];
Vc [i*ng+j1] += VSc [c+1];
- c += SIMD_WIDTH + 2;
+ c += simd_width + 2;
}
}
}
}
}
-#endif /* GMX_X86_SSE2 */
+#endif /* GMX_NBNXN_SIMD_4XN */
void
-nbnxn_kernel_x86_simd128(nbnxn_pairlist_set_t *nbl_list,
- const nbnxn_atomdata_t *nbat,
- const interaction_const_t *ic,
- int ewald_excl,
- rvec *shift_vec,
- int force_flags,
- int clearF,
- real *fshift,
- real *Vc,
- real *Vvdw)
-#ifdef GMX_X86_SSE2
+nbnxn_kernel_simd_4xn(nbnxn_pairlist_set_t *nbl_list,
+ const nbnxn_atomdata_t *nbat,
+ const interaction_const_t *ic,
+ int ewald_excl,
+ rvec *shift_vec,
+ int force_flags,
+ int clearF,
+ real *fshift,
+ real *Vc,
+ real *Vvdw)
+#ifdef GMX_NBNXN_SIMD_4XN
{
int nnbl;
nbnxn_pairlist_t **nbl;
}
#else
{
- gmx_incons("nbnxn_kernel_x86_simd128 called while GROMACS was configured without SSE enabled");
+ gmx_incons("nbnxn_kernel_simd_4xn called while GROMACS was configured without 4xN SIMD kernels enabled");
}
#endif
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff