Merge branch release-2018

[alexxy/gromacs.git] / src / gromacs / mdlib / clincs.cpp

diff --git a/src/gromacs/mdlib/clincs.cpp b/src/gromacs/mdlib/clincs.cpp
index 336e75b4aa9858105d64dc0828fd36bc2352dcfd..f254bea23f98241307e4cb95a2385d27d2e30856 100644 (file)
--- a/src/gromacs/mdlib/clincs.cpp
+++ b/src/gromacs/mdlib/clincs.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018, 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.
@@ -441,7 +441,7 @@ calc_dr_x_f_simd(int                       b0,
 {
     assert(b0 % GMX_SIMD_REAL_WIDTH == 0);
 
-    GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH) offset2[GMX_SIMD_REAL_WIDTH];
+    alignas(GMX_SIMD_ALIGNMENT) std::int32_t offset2[GMX_SIMD_REAL_WIDTH];
 
     for (int i = 0; i < GMX_SIMD_REAL_WIDTH; i++)
     {
@@ -454,8 +454,8 @@ calc_dr_x_f_simd(int                       b0,
         SimdReal x1_S, y1_S, z1_S;
         SimdReal rx_S, ry_S, rz_S, n2_S, il_S;
         SimdReal fx_S, fy_S, fz_S, ip_S, rhs_S;
-        GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH)      offset0[GMX_SIMD_REAL_WIDTH];
-        GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH)      offset1[GMX_SIMD_REAL_WIDTH];
+        alignas(GMX_SIMD_ALIGNMENT) std::int32_t      offset0[GMX_SIMD_REAL_WIDTH];
+        alignas(GMX_SIMD_ALIGNMENT) std::int32_t      offset1[GMX_SIMD_REAL_WIDTH];
 
         for (int i = 0; i < GMX_SIMD_REAL_WIDTH; i++)
         {
@@ -537,7 +537,7 @@ static void do_lincsp(rvec *x, rvec *f, rvec *fp, t_pbc *pbc,
      * The only difference is that we always call pbc code, as with SIMD
      * the overhead of pbc computation (when not needed) is small.
      */
-    GMX_ALIGNED(real, GMX_SIMD_REAL_WIDTH)    pbc_simd[9*GMX_SIMD_REAL_WIDTH];
+    alignas(GMX_SIMD_ALIGNMENT) real    pbc_simd[9*GMX_SIMD_REAL_WIDTH];
 
     /* Convert the pbc struct for SIMD */
     set_pbc_simd(pbc, pbc_simd);
@@ -695,7 +695,7 @@ calc_dr_x_xp_simd(int                       b0,
                   real * gmx_restrict       sol)
 {
     assert(b0 % GMX_SIMD_REAL_WIDTH == 0);
-    GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH) offset2[GMX_SIMD_REAL_WIDTH];
+    alignas(GMX_SIMD_ALIGNMENT) std::int32_t offset2[GMX_SIMD_REAL_WIDTH];
 
     for (int i = 0; i < GMX_SIMD_REAL_WIDTH; i++)
     {
@@ -708,8 +708,8 @@ calc_dr_x_xp_simd(int                       b0,
         SimdReal x1_S, y1_S, z1_S;
         SimdReal rx_S, ry_S, rz_S, n2_S, il_S;
         SimdReal rxp_S, ryp_S, rzp_S, ip_S, rhs_S;
-        GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH)      offset0[GMX_SIMD_REAL_WIDTH];
-        GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH)      offset1[GMX_SIMD_REAL_WIDTH];
+        alignas(GMX_SIMD_ALIGNMENT) std::int32_t      offset0[GMX_SIMD_REAL_WIDTH];
+        alignas(GMX_SIMD_ALIGNMENT) std::int32_t      offset1[GMX_SIMD_REAL_WIDTH];
 
         for (int i = 0; i < GMX_SIMD_REAL_WIDTH; i++)
         {
@@ -835,8 +835,8 @@ calc_dist_iter_simd(int                       b0,
         SimdReal x1_S, y1_S, z1_S;
         SimdReal rx_S, ry_S, rz_S, n2_S;
         SimdReal len_S, len2_S, dlen2_S, lc_S, blc_S;
-        GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH)      offset0[GMX_SIMD_REAL_WIDTH];
-        GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH)      offset1[GMX_SIMD_REAL_WIDTH];
+        alignas(GMX_SIMD_ALIGNMENT) std::int32_t      offset0[GMX_SIMD_REAL_WIDTH];
+        alignas(GMX_SIMD_ALIGNMENT) std::int32_t      offset1[GMX_SIMD_REAL_WIDTH];
 
         for (int i = 0; i < GMX_SIMD_REAL_WIDTH; i++)
         {
@@ -923,7 +923,7 @@ static void do_lincs(rvec *x, rvec *xp, matrix box, t_pbc *pbc,
      * The only difference is that we always call pbc code, as with SIMD
      * the overhead of pbc computation (when not needed) is small.
      */
-    GMX_ALIGNED(real, GMX_SIMD_REAL_WIDTH)    pbc_simd[9*GMX_SIMD_REAL_WIDTH];
+    alignas(GMX_SIMD_ALIGNMENT) real    pbc_simd[9*GMX_SIMD_REAL_WIDTH];
 
     /* Convert the pbc struct for SIMD */
     set_pbc_simd(pbc, pbc_simd);