Make nbnxn template and generated files match

Change-Id: I80b80e242d920862a64db22ae2321dcdb532faa1

diff --git a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/make_verlet_simd_kernel_files.py b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/make_verlet_simd_kernel_files.py
index 76a1c5d4abca266f206492a177ad11b35131318c..b3fdecc0147a1ba909073f892ff9850ef8a48e5f 100755 (executable)
--- a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/make_verlet_simd_kernel_files.py
+++ b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/make_verlet_simd_kernel_files.py
@@ -142,9 +142,7 @@ VerletKernelTypeDict = {
     },
     '4xn' : {
         'Define' : 'GMX_NBNXN_SIMD_4XN',
-        'WidthSetup' : ('#ifdef GMX_NBNXN_HALF_WIDTH_SIMD\n' \
-                        '#define GMX_USE_HALF_WIDTH_SIMD_HERE\n' \
-                        '#endif\n'),
+        'WidthSetup' : (''),
         'WidthCheck' : ('#if !(GMX_SIMD_REAL_WIDTH == 2 || GMX_SIMD_REAL_WIDTH == 4 || GMX_SIMD_REAL_WIDTH == 8)\n' \
                         '#error "unsupported SIMD width"\n' \
                         '#endif\n'),

diff --git a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre
index 1ac1bf54197b72c8f86bb80d24bd711d9cd5d26e..a3ede7190f921840e851d48b81fb5554c8bb5365 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre
+++ b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre
@@ -38,11 +38,12 @@
 
 #include "typedefs.h"
 
+#include "gromacs/mdlib/nbnxn_simd.h"
+
 #ifdef {0}
 
-{1}
-#include "gromacs/simd/macros.h"
-#include "gromacs/simd/vector_operations.h"
+{1}#include "gromacs/simd/vector_operations.h"
+
 {2}
 #define GMX_SIMD_J_UNROLL_SIZE {3}
 #include "{4}"

diff --git a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.h.pre b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.h.pre
index 61e3155fa54ab4bc491565a3bda1e4423f9df2f4..e3fa05fb8f5b57a7f2eca53bceea931212fa0323 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.h.pre
+++ b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.h.pre
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * 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.
@@ -34,6 +34,8 @@
  */
 #include "typedefs.h"
 
+#include "gromacs/mdlib/nbnxn_simd.h"
+
 #ifdef __cplusplus
 extern "C" {{
 #endif

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c
index 17608af2e7037a7fa46f647413d213f09036ada8..0684149bad85f093838e42c941c8593d7aa05567 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c
@@ -48,6 +48,7 @@
 #ifdef GMX_NBNXN_SIMD_4XN
 
 #include "gromacs/simd/vector_operations.h"
+
 #if !(GMX_SIMD_REAL_WIDTH == 2 || GMX_SIMD_REAL_WIDTH == 4 || GMX_SIMD_REAL_WIDTH == 8)
 #error "unsupported SIMD width"
 #endif