Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_2xnn / nbnxn_kernel_simd_2xnn_common.h

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_common.h b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_common.h
index e03e9015bd2f450300cf6a45961c541c8bf1bc2e..3f3abe8308823e358e44e24d2f246bcefd93e7a9 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_common.h
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_common.h
@@ -1,10 +1,10 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * 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.
+ * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
  *
  * GROMACS is free software; you can redistribute it and/or
  * modify it under the terms of the GNU Lesser General Public License
@@ -32,43 +32,33 @@
  * To help us fund GROMACS development, we humbly ask that you cite
  * the research papers on the package. Check out http://www.gromacs.org.
  */
-#include "gmx_simd_macros.h"
-#include "gmx_simd_vec.h"
-#include "../../nbnxn_consts.h"
+#include "gromacs/mdlib/nbnxn_consts.h"
+#include "gromacs/pbcutil/ishift.h"
+#include "gromacs/simd/simd.h"
+#include "gromacs/simd/simd_math.h"
+#include "gromacs/simd/vector_operations.h"
 #ifdef CALC_COUL_EWALD
-#include "maths.h"
+#include "gromacs/math/utilities.h"
 #endif
 
-
-#define SUM_SIMD4(x) (x[0]+x[1]+x[2]+x[3])
+#ifndef GMX_SIMD_J_UNROLL_SIZE
+#error "Need to define GMX_SIMD_J_UNROLL_SIZE before including the 2xnn kernel common header file"
+#endif
 
 #define UNROLLI    NBNXN_CPU_CLUSTER_I_SIZE
-#define UNROLLJ    (GMX_SIMD_WIDTH_HERE/GMX_SIMD_J_UNROLL_SIZE)
+#define UNROLLJ    (GMX_SIMD_REAL_WIDTH/GMX_SIMD_J_UNROLL_SIZE)
 
 /* The stride of all the atom data arrays is equal to half the SIMD width */
-#define STRIDE     (GMX_SIMD_WIDTH_HERE/GMX_SIMD_J_UNROLL_SIZE)
-
-#if GMX_SIMD_WIDTH_HERE == 8
-#define SUM_SIMD(x) (x[0]+x[1]+x[2]+x[3]+x[4]+x[5]+x[6]+x[7])
-#else
-#if GMX_SIMD_WIDTH_HERE == 16
-/* This is getting ridiculous, SIMD horizontal adds would help,
- * but this is not performance critical (only used to reduce energies)
- */
-#define SUM_SIMD(x) (x[0]+x[1]+x[2]+x[3]+x[4]+x[5]+x[6]+x[7]+x[8]+x[9]+x[10]+x[11]+x[12]+x[13]+x[14]+x[15])
-#else
-#error "unsupported kernel configuration"
-#endif
-#endif
+#define STRIDE     UNROLLJ
 
-#include "../nbnxn_kernel_simd_utils.h"
+#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_simd_utils.h"
 
-static inline void
-gmx_load_simd_2xnn_interactions(int            excl,
-                                gmx_exclfilter filter_S0,
-                                gmx_exclfilter filter_S2,
-                                gmx_mm_pb     *interact_S0,
-                                gmx_mm_pb     *interact_S2)
+static gmx_inline void gmx_simdcall
+gmx_load_simd_2xnn_interactions(int                  excl,
+                                gmx_exclfilter       filter_S0,
+                                gmx_exclfilter       filter_S2,
+                                gmx_simd_bool_t     *interact_S0,
+                                gmx_simd_bool_t     *interact_S2)
 {
     /* Load integer interaction mask */
     gmx_exclfilter mask_pr_S = gmx_load1_exclfilter(excl);