Make nbnxm a proper module

Added definition of module_nbnxm to doxygen documentation.
Required removing the path from many #includes inside
the module.

Change-Id: I1d46aefaa83b0be674c14a4ef5ee16573eee0e1a

diff --git a/docs/doxygen/lib/nbnxm.md b/docs/doxygen/lib/nbnxm.md
new file mode 100644 (file)
index 0000000..c0c3338
--- /dev/null
+++ b/docs/doxygen/lib/nbnxm.md
@@ -0,0 +1,30 @@
+The NxM atom-cluster non-bonded algorithm {#page_nbnxm}
+=========================================
+
+The algorithm
+=============
+
+Computing non-bonded pair interactions is the most time consuming part
+of most molecular dynamics simulations. It is therefore necessary to
+(highly) optimize this to achieve good simulation performance.
+The standard atom pair lists are not a good match for modern SIMD
+(single-instruction multiple-data) CPU architectures, nor for GPGPU
+accelerators. To achieve higher (cache) data reuse and instruction
+parallelism, we cluster atoms in groups of size N and M, where N and M
+are either the same or differ by a factor of 2. This is done by spatial
+gridding and binning. We then construct a pair list between these
+clusters instead of single atoms. This not only leads to a smaller list,
+but also regularizes the data access. The non-bonded pair-interaction
+kernels can then compute interactions between all atom-pairs in
+a cluster-pair simulatenously. For GPUs there is another layer:
+superclusters consisting of multiple clusters to increase data reuse.
+
+Architecture support
+====================
+
+Currently the module supports 5 different kernel architectures:
+* Plain C++: slow, only for reference.
+* SIMD 4xM: targets CPUs using SIMD intrinsics with N=4 and M=2, 4 or 8, SIMD width 2, 4 or 8.
+* SIMD 2xMM: targets CPUs using SIMD intrinsics with N=4 and M=4 or 8, SIMD width 8 or 16.
+* CUDA: targets CUDA GPUs
+* OpenCL: targets GPUs using OpenCL

diff --git a/docs/doxygen/user/mainpage.md b/docs/doxygen/user/mainpage.md
index 959f1e417623ae70cbd3478572725532dcac771c..450d853bd76edf3f9c647ae2469e9bb6e0365ff1 100644 (file)
--- a/docs/doxygen/user/mainpage.md
+++ b/docs/doxygen/user/mainpage.md
@@ -65,6 +65,8 @@ give an overview of some of the topics that are documented:
  - \subpage page_simd <br/>
    Documentation about the new SIMD module that makes it possible to write
    highly accelerated CPU code that is still portable.
+ - \subpage page_nbnxm <br/>
+   Documentation about the non-bonded module which uses NxM atom clusters.
  - \subpage page_awh <br/>
    Documentation about the accelerated weight histogram (AWH) method,
    which is used for accelerating sampling along reaction coordinates.

diff --git a/src/gromacs/mdlib/sim_util.cpp b/src/gromacs/mdlib/sim_util.cpp
index b9663c8ea568932712ec2ccfa40cb0752ecd9df5..c34b5559858c54fbc0e6caf852edd13edae5376a 100644 (file)
--- a/src/gromacs/mdlib/sim_util.cpp
+++ b/src/gromacs/mdlib/sim_util.cpp
@@ -87,7 +87,6 @@
 #include "gromacs/mdtypes/simulation_workload.h"
 #include "gromacs/mdtypes/state.h"
 #include "gromacs/mdtypes/state_propagator_data_gpu.h"
-#include "gromacs/nbnxm/atomdata.h"
 #include "gromacs/nbnxm/gpu_data_mgmt.h"
 #include "gromacs/nbnxm/nbnxm.h"
 #include "gromacs/pbcutil/ishift.h"

diff --git a/src/gromacs/nbnxm/atomdata.cpp b/src/gromacs/nbnxm/atomdata.cpp
index 5df9633e2727d723861dc7c2f01eb76e91d8b043..a4e7b0285d86874cf628c1bc64b61facc0c76214 100644 (file)
--- a/src/gromacs/nbnxm/atomdata.cpp
+++ b/src/gromacs/nbnxm/atomdata.cpp
@@ -53,8 +53,6 @@
 #include "gromacs/mdtypes/forcerec.h" // only for GET_CGINFO_*
 #include "gromacs/mdtypes/mdatom.h"
 #include "gromacs/nbnxm/nbnxm.h"
-#include "gromacs/nbnxm/nbnxm_geometry.h"
-#include "gromacs/nbnxm/pairlist.h"
 #include "gromacs/pbcutil/ishift.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/utility/exceptions.h"
@@ -67,6 +65,8 @@
 
 #include "grid.h"
 #include "gridset.h"
+#include "nbnxm_geometry.h"
+#include "pairlist.h"
 
 using namespace gmx; // TODO: Remove when this file is moved into gmx namespace
 

diff --git a/src/gromacs/nbnxm/clusterdistancekerneltype.h b/src/gromacs/nbnxm/clusterdistancekerneltype.h
index ad5f25f373cc16324bdefd63a95360641fb6be56..0726ab1ac63a2953758e5e667d1a1d3c3637386f 100644 (file)
--- a/src/gromacs/nbnxm/clusterdistancekerneltype.h
+++ b/src/gromacs/nbnxm/clusterdistancekerneltype.h
@@ -45,10 +45,10 @@
 #ifndef GMX_NBNXM_CLUSTERDISTANCEKERNELTYPE_H
 #define GMX_NBNXM_CLUSTERDISTANCEKERNELTYPE_H
 
-#include "gromacs/nbnxm/atomdata.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/utility/gmxassert.h"
 
+#include "atomdata.h"
 #include "pairlistparams.h"
 
 //! The types of kernel for calculating the distance between pairs of atom clusters

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda.cu b/src/gromacs/nbnxm/cuda/nbnxm_cuda.cu
index dba1ca8c826f454164b64822733a2fe53bf961b5..ca88b5e94f8accde6f1d1e4944848cfb14d21daa 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda.cu
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda.cu
@@ -64,11 +64,11 @@
 #include "gromacs/nbnxm/grid.h"
 #include "gromacs/nbnxm/nbnxm.h"
 #include "gromacs/nbnxm/pairlist.h"
-#include "gromacs/nbnxm/cuda/nbnxm_buffer_ops_kernels.cuh"
 #include "gromacs/timing/gpu_timing.h"
 #include "gromacs/utility/cstringutil.h"
 #include "gromacs/utility/gmxassert.h"
 
+#include "nbnxm_buffer_ops_kernels.cuh"
 #include "nbnxm_cuda_types.h"
 
 /***** The kernel declarations/definitions come here *****/
@@ -82,33 +82,33 @@
  */
 #define FUNCTION_DECLARATION_ONLY
 /** Force only **/
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 /** Force & energy **/
 #define CALC_ENERGIES
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 #undef CALC_ENERGIES
 
 /*** Pair-list pruning kernels ***/
 /** Force only **/
 #define PRUNE_NBL
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 /** Force & energy **/
 #define CALC_ENERGIES
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 #undef CALC_ENERGIES
 #undef PRUNE_NBL
 
 /* Prune-only kernels */
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_pruneonly.cuh"
+#include "nbnxm_cuda_kernel_pruneonly.cuh"
 #undef FUNCTION_DECLARATION_ONLY
 
 /* Now generate the function definitions if we are using a single compilation unit. */
 #if GMX_CUDA_NB_SINGLE_COMPILATION_UNIT
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_noprune.cu"
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_prune.cu"
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_noprune.cu"
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_prune.cu"
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_pruneonly.cu"
+#include "nbnxm_cuda_kernel_F_noprune.cu"
+#include "nbnxm_cuda_kernel_F_prune.cu"
+#include "nbnxm_cuda_kernel_VF_noprune.cu"
+#include "nbnxm_cuda_kernel_VF_prune.cu"
+#include "nbnxm_cuda_kernel_pruneonly.cu"
 #endif /* GMX_CUDA_NB_SINGLE_COMPILATION_UNIT */
 
 namespace Nbnxm

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda.h b/src/gromacs/nbnxm/cuda/nbnxm_cuda.h
index 42296f62b2f16ceb2ab196971da89d12a1fdc686..f222cddaf0667a5802143f98c83521477a81fb70 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda.h
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda.h
@@ -35,6 +35,8 @@
 /*! \internal \file
  * \brief
  * Declares nbnxn cuda cache and texture helper functions
+ *
+ * \ingroup module_nbnxm
  */
 #ifndef GMX_NBNXN_CUDA_NBNXN_CUDA_H
 #define GMX_NBNXN_CUDA_NBNXN_CUDA_H

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_noprune.cu b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_noprune.cu
index 1e17c44a053b860476930e3fdf7a0d6e5c44c0e6..6588bae72953d2cb545e65f4e5cd7caa2b259fd7 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_noprune.cu
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_noprune.cu
@@ -35,8 +35,8 @@
 #include "gmxpre.h"
 
 #include "gromacs/gpu_utils/cudautils.cuh"
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_utils.cuh"
 
+#include "nbnxm_cuda_kernel_utils.cuh"
 #include "nbnxm_cuda_types.h"
 
 /* Top-level kernel generation: will generate through multiple
@@ -44,6 +44,6 @@
  * force-only output without pair list pruning;
  */
 #define FUNCTION_DECLARATION_ONLY
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 #undef FUNCTION_DECLARATION_ONLY
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_prune.cu b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_prune.cu
index dde88087ff2e34ab19a8ca7ba7519fe891f6df43..ae3a2159e5cbe8bf8c93d1313787f752da929b75 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_prune.cu
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_prune.cu
@@ -35,8 +35,8 @@
 #include "gmxpre.h"
 
 #include "gromacs/gpu_utils/cudautils.cuh"
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_utils.cuh"
 
+#include "nbnxm_cuda_kernel_utils.cuh"
 #include "nbnxm_cuda_types.h"
 
 /* Top-level kernel generation: will generate through multiple
@@ -45,7 +45,7 @@
  */
 #define PRUNE_NBL
 #define FUNCTION_DECLARATION_ONLY
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 #undef FUNCTION_DECLARATION_ONLY
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 #undef PRUNE_NBL

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_noprune.cu b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_noprune.cu
index c6dd13c49abd9bd9b7da8077cbb0d7a48080ec1f..919cae365f7afee662561a9f7f76e945f06718e4 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_noprune.cu
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_noprune.cu
@@ -35,8 +35,8 @@
 #include "gmxpre.h"
 
 #include "gromacs/gpu_utils/cudautils.cuh"
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_utils.cuh"
 
+#include "nbnxm_cuda_kernel_utils.cuh"
 #include "nbnxm_cuda_types.h"
 
 /* Top-level kernel generation: will generate through multiple
@@ -45,7 +45,7 @@
  */
 #define CALC_ENERGIES
 #define FUNCTION_DECLARATION_ONLY
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 #undef FUNCTION_DECLARATION_ONLY
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 #undef CALC_ENERGIES

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_prune.cu b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_prune.cu
index 20e8fedfa02e1abcbf21ecb1b2822a62d6862b41..fda040046dd6b6ace25d1b993ccdde38b49cb47b 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_prune.cu
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_prune.cu
@@ -35,8 +35,8 @@
 #include "gmxpre.h"
 
 #include "gromacs/gpu_utils/cudautils.cuh"
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_utils.cuh"
 
+#include "nbnxm_cuda_kernel_utils.cuh"
 #include "nbnxm_cuda_types.h"
 
 /* Top-level kernel generation: will generate through multiple
@@ -46,8 +46,8 @@
 #define PRUNE_NBL
 #define CALC_ENERGIES
 #define FUNCTION_DECLARATION_ONLY
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 #undef FUNCTION_DECLARATION_ONLY
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh"
+#include "nbnxm_cuda_kernels.cuh"
 #undef CALC_ENERGIES
 #undef PRUNE_NBL

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_pruneonly.cuh b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_pruneonly.cuh
index 994951babbe18919132b7c594be440bce31676a9..99801a70d1265e8c319c06f799400643678e21bd 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_pruneonly.cuh
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_pruneonly.cuh
@@ -48,9 +48,9 @@
 
 #include "gromacs/gpu_utils/cuda_arch_utils.cuh"
 #include "gromacs/math/utilities.h"
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel_utils.cuh"
 #include "gromacs/pbcutil/ishift.h"
 
+#include "nbnxm_cuda_kernel_utils.cuh"
 #include "nbnxm_cuda_types.h"
 
 /* Note that floating-point constants in CUDA code should be suffixed

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh
index 323e6a671fbfb8f72bdca641bea89cadcf51b8d9..5bc27a0e98378649808943912b3bd05b565a4b27 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh
@@ -58,42 +58,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJ ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecCut_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 
@@ -106,42 +106,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJ ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecRF_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 
@@ -154,42 +154,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJ ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEw_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 
@@ -203,42 +203,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJ ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwTwinCut_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 
@@ -251,42 +251,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJ ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTab_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 
@@ -299,42 +299,42 @@
 
 /* cut-off + V shift LJ */
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJ ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w geometric combination rules */
 #define LJ_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* cut-off + V shift LJ w LB combination rules */
 #define LJ_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w geometric combination rules */
 #define LJ_EWALD_COMB_GEOM
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJEwCombGeom ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_GEOM
 #undef NB_KERNEL_FUNC_NAME
 /* LJ-Ewald w LB combination rules */
 #define LJ_EWALD_COMB_LB
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJEwCombLB ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_EWALD_COMB_LB
 #undef NB_KERNEL_FUNC_NAME
 /* F switch LJ */
 #define LJ_FORCE_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJFsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_FORCE_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 /* V switch LJ */
 #define LJ_POT_SWITCH
 #define NB_KERNEL_FUNC_NAME(x, ...) x ## _ElecEwQSTabTwinCut_VdwLJPsw ## __VA_ARGS__
-#include "gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh"
+#include "nbnxm_cuda_kernel.cuh"
 #undef LJ_POT_SWITCH
 #undef NB_KERNEL_FUNC_NAME
 

diff --git a/src/gromacs/nbnxm/gpu_jit_support.h b/src/gromacs/nbnxm/gpu_jit_support.h
index 29234e3d4205b6c66cc7bd56bd7543edea7ea730..8aca815097065ffe777d48b27a9ddd47812dae86 100644 (file)
--- a/src/gromacs/nbnxm/gpu_jit_support.h
+++ b/src/gromacs/nbnxm/gpu_jit_support.h
@@ -37,6 +37,8 @@
  *
  *  \author Dimitrios Karkoulis <dimitris.karkoulis@gmail.com>
  *  \author Mark Abraham <mark.j.abraham@gmail.com>
+ *
+ * \ingroup module_nbnxm
  */
 
 #ifndef GMX_NBNXM_GPU_JIT_SUPPORT_H

diff --git a/src/gromacs/nbnxm/gpu_types_common.h b/src/gromacs/nbnxm/gpu_types_common.h
index 4c57f22bcd301b3dcdbb19c7201e14f840b6007a..35270a8345b1a6a285b0919573d9482939c7497a 100644 (file)
--- a/src/gromacs/nbnxm/gpu_types_common.h
+++ b/src/gromacs/nbnxm/gpu_types_common.h
@@ -44,10 +44,10 @@
 
 #include "config.h"
 
-#include "gromacs/nbnxm/pairlist.h"
 #include "gromacs/utility/enumerationhelpers.h"
 
 #include "locality.h"
+#include "pairlist.h"
 
 #if GMX_GPU == GMX_GPU_OPENCL
 #include "gromacs/gpu_utils/gpuregiontimer_ocl.h"

diff --git a/src/gromacs/nbnxm/grid.cpp b/src/gromacs/nbnxm/grid.cpp
index 54b10eaf284dfee5c33d552f759b5b40856dbaad..c6c000bc7ca78a95ad09f1c5f2f407cef8413ff6 100644 (file)
--- a/src/gromacs/nbnxm/grid.cpp
+++ b/src/gromacs/nbnxm/grid.cpp
@@ -56,13 +56,13 @@
 #include "gromacs/mdlib/gmx_omp_nthreads.h"
 #include "gromacs/mdlib/updategroupscog.h"
 #include "gromacs/mdtypes/forcerec.h" // only for GET_CGINFO_*
-#include "gromacs/nbnxm/atomdata.h"
-#include "gromacs/nbnxm/nbnxm_geometry.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/simd/vector_operations.h"
 
+#include "atomdata.h"
 #include "boundingboxes.h"
 #include "gridsetdata.h"
+#include "nbnxm_geometry.h"
 #include "pairlistparams.h"
 
 namespace Nbnxm

diff --git a/src/gromacs/nbnxm/gridset.cpp b/src/gromacs/nbnxm/gridset.cpp
index e70763770a29ac1d5ff257cfa4bbb143957e32e0..b4d76234bf26f5cf65506dcc1190c8194588c8d9 100644 (file)
--- a/src/gromacs/nbnxm/gridset.cpp
+++ b/src/gromacs/nbnxm/gridset.cpp
@@ -48,9 +48,10 @@
 
 #include "gromacs/mdlib/gmx_omp_nthreads.h"
 #include "gromacs/mdlib/updategroupscog.h"
-#include "gromacs/nbnxm/atomdata.h"
 #include "gromacs/utility/fatalerror.h"
 
+#include "atomdata.h"
+
 namespace Nbnxm
 {
 

diff --git a/src/gromacs/nbnxm/kernel_common.cpp b/src/gromacs/nbnxm/kernel_common.cpp
index 55a470b08c849884b380f89f80c5af2fe8f3ddbc..9c0dc97d8df88f0e11d3762d27f508d7c4dfb92d 100644 (file)
--- a/src/gromacs/nbnxm/kernel_common.cpp
+++ b/src/gromacs/nbnxm/kernel_common.cpp
@@ -39,6 +39,7 @@
  * Implements utility functions used by all nbnxm CPU kernels.
  *
  * \author Berk Hess <hess@kth.se>
+ * \ingroup module_nbnxm
  */
 
 #include "gmxpre.h"

diff --git a/src/gromacs/nbnxm/kernel_common.h b/src/gromacs/nbnxm/kernel_common.h
index 7a2b97a7aa366528386fdec7e215833eea7fcc41..16b3890a409ccaee624e718f7abaed022a14af7d 100644 (file)
--- a/src/gromacs/nbnxm/kernel_common.h
+++ b/src/gromacs/nbnxm/kernel_common.h
@@ -39,6 +39,7 @@
  * Declares the nbnxm pair interaction kernel function types and kind counts, also declares utility functions used in nbnxm_kernel.cpp.
  *
  * \author Berk Hess <hess@kth.se>
+ * \ingroup module_nbnxm
  */
 
 #ifndef GMX_NBXNM_KERNEL_COMMON_H
@@ -46,10 +47,11 @@
 
 #include "gromacs/math/vectypes.h"
 /* nbnxn_atomdata_t and nbnxn_pairlist_t could be forward declared, but that requires modifications in all SIMD kernel files */
-#include "gromacs/nbnxm/atomdata.h"
-#include "gromacs/nbnxm/pairlist.h"
 #include "gromacs/utility/real.h"
 
+#include "atomdata.h"
+#include "pairlist.h"
+
 struct interaction_const_t;
 
 // TODO: Consider using one nbk_func type now ener and noener are identical

diff --git a/src/gromacs/nbnxm/kernel_file_generator/kernel_simd_2xmm_kernel.cpp.pre b/src/gromacs/nbnxm/kernel_file_generator/kernel_simd_2xmm_kernel.cpp.pre
index 28a9d829c9d87b34125f23be13658636576c186e..ee2e981a0a84bc477e3571cce8f3e95cbdb42f69 100644 (file)
--- a/src/gromacs/nbnxm/kernel_file_generator/kernel_simd_2xmm_kernel.cpp.pre
+++ b/src/gromacs/nbnxm/kernel_file_generator/kernel_simd_2xmm_kernel.cpp.pre
@@ -51,7 +51,7 @@
 {3}
 
 #ifdef {0}
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* {0} */
 
 #ifdef CALC_ENERGIES
@@ -70,7 +70,7 @@ void
 {6}nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef {0}
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* {0} */
 {{
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernel_file_generator/kernel_simd_4xm_kernel.cpp.pre b/src/gromacs/nbnxm/kernel_file_generator/kernel_simd_4xm_kernel.cpp.pre
index ac936a16a5a9fea6c34b57eb36d086a3d9815f0c..ee2e981a0a84bc477e3571cce8f3e95cbdb42f69 100644 (file)
--- a/src/gromacs/nbnxm/kernel_file_generator/kernel_simd_4xm_kernel.cpp.pre
+++ b/src/gromacs/nbnxm/kernel_file_generator/kernel_simd_4xm_kernel.cpp.pre
@@ -51,7 +51,7 @@
 {3}
 
 #ifdef {0}
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* {0} */
 
 #ifdef CALC_ENERGIES
@@ -70,7 +70,7 @@ void
 {6}nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef {0}
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* {0} */
 {{
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernel_file_generator/make_verlet_simd_kernel_files.py b/src/gromacs/nbnxm/kernel_file_generator/make_verlet_simd_kernel_files.py
index 1a1ffab7956132d9253e6acd7d05f5336f2889cd..0f435c2b899e82a010ea7b2cb20d117d365a1f7f 100755 (executable)
--- a/src/gromacs/nbnxm/kernel_file_generator/make_verlet_simd_kernel_files.py
+++ b/src/gromacs/nbnxm/kernel_file_generator/make_verlet_simd_kernel_files.py
@@ -160,7 +160,7 @@ for type in VerletKernelTypeDict:
     KernelsName = "{0}_simd_{1}".format(KernelNamePrefix,type)
     KernelsFileName = "{0}_simd_{1}".format(KernelFileNamePrefix,type)
     KernelsHeaderFileName = "kernels.h"
-    KernelsHeaderPathName = "gromacs/nbnxm/kernels_simd_{0}/{1}".format(type,KernelsHeaderFileName)
+    KernelsHeaderPathName = "{1}".format(type,KernelsHeaderFileName)
     KernelFunctionLookupTable = {}
     KernelDeclarations = ''
     KernelTemplate = read_kernel_template("{0}_kernel.cpp.pre".format(KernelsFileName))

diff --git a/src/gromacs/nbnxm/kerneldispatch.cpp b/src/gromacs/nbnxm/kerneldispatch.cpp
index f1084134393629b8e843edaa73e70f5f7d928223..d7c68273e0857826181b45254b100961acc38022 100644 (file)
--- a/src/gromacs/nbnxm/kerneldispatch.cpp
+++ b/src/gromacs/nbnxm/kerneldispatch.cpp
@@ -52,23 +52,23 @@
 #include "gromacs/mdtypes/simulation_workload.h"
 #include "gromacs/nbnxm/gpu_data_mgmt.h"
 #include "gromacs/nbnxm/nbnxm.h"
-#include "gromacs/nbnxm/nbnxm_simd.h"
-#include "gromacs/nbnxm/kernels_reference/kernel_gpu_ref.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/timing/wallcycle.h"
 #include "gromacs/utility/gmxassert.h"
 #include "gromacs/utility/real.h"
 
 #include "kernel_common.h"
+#include "nbnxm_simd.h"
 #include "pairlistset.h"
 #include "pairlistsets.h"
+#include "kernels_reference/kernel_gpu_ref.h"
 #define INCLUDE_KERNELFUNCTION_TABLES
-#include "gromacs/nbnxm/kernels_reference/kernel_ref.h"
+#include "kernels_reference/kernel_ref.h"
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels_simd_2xmm/kernels.h"
 #endif
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels_simd_4xm/kernels.h"
 #endif
 #undef INCLUDE_FUNCTION_TABLES
 

diff --git a/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp b/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp
index e953f51e9e6cb3f88a3f7feb4187917e33094403..2ae8cb7b90e56fd47efaf291ff30417b79769394 100644 (file)
--- a/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp
+++ b/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp
@@ -54,21 +54,21 @@
 /* Analytical reaction-field kernels */
 #define CALC_COUL_RF
 #define LJ_CUT
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_CUT
 #define LJ_FORCE_SWITCH
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_FORCE_SWITCH
 #define LJ_POT_SWITCH
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_POT_SWITCH
 #define LJ_EWALD
 #define LJ_CUT
 #define LJ_EWALD_COMB_GEOM
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_GEOM
 #define LJ_EWALD_COMB_LB
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_LB
 #undef LJ_CUT
 #undef LJ_EWALD
@@ -78,42 +78,42 @@
 /* Tabulated exclusion interaction electrostatics kernels */
 #define CALC_COUL_TAB
 #define LJ_CUT
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_CUT
 #define LJ_FORCE_SWITCH
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_FORCE_SWITCH
 #define LJ_POT_SWITCH
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_POT_SWITCH
 #define LJ_EWALD
 #define LJ_CUT
 #define LJ_EWALD_COMB_GEOM
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_GEOM
 #define LJ_EWALD_COMB_LB
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_LB
 #undef LJ_CUT
 #undef LJ_EWALD
 /* Twin-range cut-off kernels */
 #define VDW_CUTOFF_CHECK
 #define LJ_CUT
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_CUT
 #define LJ_FORCE_SWITCH
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_FORCE_SWITCH
 #define LJ_POT_SWITCH
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_POT_SWITCH
 #define LJ_EWALD
 #define LJ_CUT
 #define LJ_EWALD_COMB_GEOM
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_GEOM
 #define LJ_EWALD_COMB_LB
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_includes.h"
+#include "kernel_ref_includes.h"
 #undef LJ_EWALD_COMB_LB
 #undef LJ_CUT
 #undef LJ_EWALD

diff --git a/src/gromacs/nbnxm/kernels_reference/kernel_ref_includes.h b/src/gromacs/nbnxm/kernels_reference/kernel_ref_includes.h
index e85d399a6c94a8cf54fc0fb9ad99fc31def22bf2..8b825baf96bb42045effad21bddaa9e83839ea94 100644 (file)
--- a/src/gromacs/nbnxm/kernels_reference/kernel_ref_includes.h
+++ b/src/gromacs/nbnxm/kernels_reference/kernel_ref_includes.h
@@ -39,16 +39,16 @@
  */
 
 /* Include the force only kernels */
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_outer.h"
+#include "kernel_ref_outer.h"
 
 /* Include the force+energy kernels */
 #define CALC_ENERGIES
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_outer.h"
+#include "kernel_ref_outer.h"
 #undef CALC_ENERGIES
 
 /* Include the force+energygroups kernels */
 #define CALC_ENERGIES
 #define ENERGY_GROUPS
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_outer.h"
+#include "kernel_ref_outer.h"
 #undef ENERGY_GROUPS
 #undef CALC_ENERGIES

diff --git a/src/gromacs/nbnxm/kernels_reference/kernel_ref_outer.h b/src/gromacs/nbnxm/kernels_reference/kernel_ref_outer.h
index b7eae847b25dce5a210a6a65e1ca3b937fdc27eb..c72d85f2acfba8838a40b6945cd03526a96c6e89 100644 (file)
--- a/src/gromacs/nbnxm/kernels_reference/kernel_ref_outer.h
+++ b/src/gromacs/nbnxm/kernels_reference/kernel_ref_outer.h
@@ -327,19 +327,19 @@ NBK_FUNC_NAME(_VgrpF) // NOLINT(misc-definitions-in-headers)
             {
 #define CALC_COULOMB
 #define HALF_LJ
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_inner.h"
+#include "kernel_ref_inner.h"
 #undef HALF_LJ
 #undef CALC_COULOMB
             }
             else if (do_coul)
             {
 #define CALC_COULOMB
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_inner.h"
+#include "kernel_ref_inner.h"
 #undef CALC_COULOMB
             }
             else
             {
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_inner.h"
+#include "kernel_ref_inner.h"
             }
 #undef CHECK_EXCLS
             cjind++;
@@ -351,19 +351,19 @@ NBK_FUNC_NAME(_VgrpF) // NOLINT(misc-definitions-in-headers)
             {
 #define CALC_COULOMB
 #define HALF_LJ
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_inner.h"
+#include "kernel_ref_inner.h"
 #undef HALF_LJ
 #undef CALC_COULOMB
             }
             else if (do_coul)
             {
 #define CALC_COULOMB
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_inner.h"
+#include "kernel_ref_inner.h"
 #undef CALC_COULOMB
             }
             else
             {
-#include "gromacs/nbnxm/kernels_reference/kernel_ref_inner.h"
+#include "kernel_ref_inner.h"
             }
         }
 

diff --git a/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.h b/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.h
index 03dafde9dcdb363877935fc42719f4789415bb26..99ed0aad250db95c00c256b2d4e3e138c101a553 100644 (file)
--- a/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.h
+++ b/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.h
@@ -39,6 +39,7 @@
  * Declares the C reference pruning only kernel.
  *
  * \author Berk Hess <hess@kth.se>
+ * \ingroup module_nbnxm
  */
 
 #include "gromacs/math/vectypes.h"

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp
index 2c12b9613dbb003c6a891e6773a9e5ef98c488fa..5c31698d4ecd9541a5fdd6ece73ec7889d903c83 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_F_2xmm(const NbnxnPairlistCpu    gmx_un
                                                 nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp
index a0d5e958054035f1d47eb321a5b1b3aeb8f67ed2..099bca66f7fbeeb8ba3430c27bf84af8e73a9f0b 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VF_2xmm(const NbnxnPairlistCpu    gmx_u
                                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp
index 0992f32c7f25437e9e5f75b3ef0737e83cceb07f..3803ed0b5d02a91097996cde8e2d753b05933bc6 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xmm(const NbnxnPairlistCpu    gm
                                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp
index b9541164ee8b89b28e35f233816e38cb45b98460..b1d19a577368ee67e7b82af0c1d523f436a9eec9 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_F_2xmm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp
index 86f08d9ea61aaceb1588284c6bea8557ae49e979..e2519030b82f2c604bedfbeb11ae11b60d1f3e5c 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VF_2xmm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp
index 686ae1740e9d3bbc445c464b9f8ccf50afb71a00..7a31512b03d21b95638076e8dfecc635a19c2797 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_
                                                   nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp
index 46c1cb41f5960da9bf72b2d5c3562fce212b32bd..ab8bf8040de7af93cb7f95e21923aed3cb1fc37b 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_2xmm(const NbnxnPairlistCpu    gmx_
                                                   nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp
index c4ea31e455b3672c4afad55d633ddb8abefe115e..7fa0320f4d46e178afdcdedc5872434b010e6ed8 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF_2xmm(const NbnxnPairlistCpu    gmx
                                                    nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp
index 0431f8cabefedeab929a337525253b1c01d6c954..88c5f39e562496d6546855a8c45b123f2d4f6e6f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -60,7 +60,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -79,7 +79,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_2xmm(const NbnxnPairlistCpu
                                                       nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp
index 89b648ca128c9d2c283b8a1c3684169cc5f89b1e..ed6dafc43c406a7dd62e381ae10c9223ab799f2c 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_F_2xmm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp
index 0c69f94c5f615bc5e6c69d804164697914593500..2a7917b77deecb7a5846c952fbb56f0fd9ac496f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                             nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp
index 5ac6d6ce4f663c8ab8a6a7e148218e4afc81cb63..bfb086f41ee67dea7f015fef6cd2335d097eefad 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp
index 514d4572a529e87c104bf05b5a0ad7d484120b3b..c0dffe53e4fdd8625a49f7abdbc1fe6a169771a4 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_F_2xmm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp
index e0d70ae7c358e819dd26f3babc1a6b0589cb0942..657b03471f31ba23a8f136022362ddab1571362e 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                             nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp
index bb503f40112a9e0d6b890b6a8b459d5d9b9c0abc..b1044f6ec5c15a11adace007442d5d604bce6adf 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp
index 7a24172c87c31a1c305d0cf7300706552600f865..6b3fd933971bf4537f7b91e7c61cbaffc2f18d78 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJ_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp
index bdc7c9388ae91d26ff9c998e301f4166f9142395..da9c05415381eadb9370c3d50fd990cf7dded0c9 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJ_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *n
                                          nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp
index 2dc0cda73b4a15bed07639e109047f62b45bbdf1..50300428a12edb2ab104b123b09b5085326513d7 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJ_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                             nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp
index 87d3558ec0e3a7531f6a0a68e24516112896d4c4..b6323323efbdd0942fef5a4086c16443f83e8cde 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJCombGeom_F_2xmm(const NbnxnPairlistCpu    gmx_unused *n
                                          nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp
index d601be84a4efc52b1b1faea7dce75515bae88b9a..a97371bd92a93b29ce7143ce86f763a1d2bff7e6 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJCombGeom_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp
index 41be71ad10e70bd1cc08e24e08b9216c593d392a..c2f21bede45c3aba6d3bf18cb3a97d32851bcc23 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJCombGeom_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unuse
                                              nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp
index 76e76cb96e6f30d9724a24d2ab10813686a2151f..021a85bcbb3defb435cd7359cfcca1bca4a539a1 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp
index 18d5accb975d1b3cab571619d624cfbc918f5ca6..aa0245727a4759e890d0c0c95fdc9494da7a471a 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp
index f5ca4b17c3e181a0fd1103c3d90e08012f65c885..f74e7433ad10ef9432696478339cd744c21208db 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJCombLB_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp
index c39a549480ef723e81ccd5f62ef12104b56d0bbb..c3c0816b8c10a093481511349bfe1fedd48c0622 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJEwCombGeom_F_2xmm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp
index d86f904289d8c3d60abfc2e69b4eb113e399bb27..17958821a7ff7a2f68bd41973a2e8a3c1604ebf0 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                             nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp
index 7d20da375a6f607741b64a85cf41be102b94841e..d590ea066a03625a7b9e659a54de235035ab8c57 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp
index b607a344d36087b0d177c52c937d1b1ea24145fa..5e14ff7bbee1e1f95a8d6c2e3efec0116f354234 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJFSw_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp
index 8597f6a5b78a069789080387b1312c3071528ad6..732646f5b41148f15bba0f076fc84bdc9e03a1db 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJFSw_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp
index 9cd0fb6960db5fa783be0bd246bdb1c07f5f7976..8e777a8320be7f26da216bddfbfbb578da843eb8 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_FORCE_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJFSw_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp
index 34da1266adb19a79e3c8086a89cb190c71a1a56e..2c320ec85950f21a8d63f9ac5ba57092398aacd5 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJPSw_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp
index 154be9e20216fcc7332dd754a91e1dfd19d271ca..cccdfc3a3430188d245a5ae26a84506e7456254f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJPSw_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp
index 0dfc5fd8a085d195ad6e8ef3c89c4a705bb47e3b..bcdb0c1db4dace4e80660b954c908b36b7074710 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_POT_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJPSw_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp
index 999bf168fa311b90e3764fe92cf8f4272b0405d6..6db73c6f5a9b7fcbcd11412a29b2bac6c0a9cf6f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJ_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp
index 377ce92e7d4c15b2ee6b110c3052966561123442..2a74fb38dc1bfc11d4f2b33f3e49c8f837d385ef 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJ_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                   nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp
index cd32010336d68cf70d408cdfbf7aaf150ba4a133..bac6a8667694292c45b1d1da511cdcab4cc7c888 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJ_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp
index dca9524deceececba1250401afb60495a6526a73..e72c95c2e013333d107e7cb7624333026be13c6e 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_2xmm(const NbnxnPairlistCpu    gmx
                                                    nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp
index 0e4c780ca8371367f8a92b27a7140fb89a859191..bef740b5a8fec1877380100efe4b5ebd61bdbed6 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF_2xmm(const NbnxnPairlistCpu    gm
                                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp
index cb9637b6b20ebb433f324e9a201ebd8f60d13047..64272eafc53c247e30a52d1234444370f7d30fcd 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_2xmm(const NbnxnPairlistCpu
                                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp
index 0c8de6f91550857e90cf452352cbb8dea8102401..c767d799b1a332f7a3fbba8987226197a9867216 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_2xmm(const NbnxnPairlistCpu    gmx_u
                                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp
index 168c823712756be069dbf870427733f0f4020320..7fb5f93ef0d4eb54fec73e97e41608240ab64064 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VF_2xmm(const NbnxnPairlistCpu    gmx_
                                                   nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp
index 0036b8d7dd5131d9844ad7b955b4420a7ed3093a..136fd24d4f0f7406d9e6d577e80f541d0caa45fb 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_2xmm(const NbnxnPairlistCpu    g
                                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp
index cf4ede9ec1ec7b329a2d18bcaa5020fb614a65aa..ca251ee586f33b99c487ac9f7cfe25f55cc996c5 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_2xmm(const NbnxnPairlistCpu    g
                                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp
index d9ec2003c6a473fa661a83df3f76d1e6fc966165..c26946ed8a56b0ccac481c18f9d34dc7c1106887 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_2xmm(const NbnxnPairlistCpu
                                                       nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp
index 39f729ce540adce120243238b4926a946da4aa96..c350fbf0b723f85e62baf98f16b6fe9d3a006767 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -60,7 +60,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -79,7 +79,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_2xmm(const NbnxnPairlistCpu
                                                          nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp
index fae093689b61f347dfb43b5b2e81a3024c328d98..77788e08da6b9ee4900a5d0ccfccd4538e33d013 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_F_2xmm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp
index b3579eb145c925bd7b091ce2b519164728e7345a..dccb70c6e3b6d034471c31bf409920160fd50401 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VF_2xmm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp
index 8919a06b50cd29f329a82a7bb4eff47174ffec0a..a956a04f0ca480b3b131215c01054c8d9602b5a7 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_
                                                   nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp
index 3bb989c42e43139ecf6a4a6020f9cf479dbe311d..3c7f67039ba6d11bc1a024d4253bc5b1a43d5614 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_F_2xmm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp
index 08bef3cc563009f3278847304df7eeaf977f92ec..836e7e660b0c773657d060bf20a4011bc8c2b7b2 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VF_2xmm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp
index 6166ff36cf77bc2060bc47d82ee879326d11349f..4ac50a3c7f0f4bb514c6d54709bde76964f3f1b1 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_
                                                   nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp
index b4b6d4af71a3117c7b1587234caa08d71f0c4e7a..527889957c1353134dbf28e3e961915584840f3b 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_F_2xmm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp
index 4497b91beb231e8ba3c8646d75f1700047bb0d73..d2a9400d457b870f1923f9515315d91410645f7b 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                             nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp
index 75b56bdbaaa0e7a858cf7e54960d598edfa52d53..43b688df5447c09a6d1a388220c32a25b0d5411c 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp
index 1ff3a3cfb72413cd600f1ea659f8ddff77073147..a607976942b5338729e16187c20dbbe0a052d100 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombGeom_F_2xmm(const NbnxnPairlistCpu    gmx_unused
                                             nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp
index a5e9f33662c6b71216a1b178d4247a65ebb35382..b33b4cf338df9e47f249f6390e8c655d394b4271 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VF_2xmm(const NbnxnPairlistCpu    gmx_unuse
                                              nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp
index eb3e403ec4854980b0407d222299ece304a13cb0..3185749bfc10205e1999c9ac769cca01571fbc78 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_un
                                                 nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp
index d2fe63aa46439c109fe154c313b6d4c7e37a8ddd..f2258ecbf4dde791e38401d3ab1ef45ac3eccf7d 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombLB_F_2xmm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp
index 0bab25b83e05d183e0cbccdc90bbbcb3cb00b7d9..0d222009220bdeaa75b54a643e17f7c7b420e286 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombLB_VF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp
index 8f08aeeb5cdd6d416b0a684983c03b04ce2bb107..57f5a21772893bdb95815b6efed25cbf7a7c0fc7 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombLB_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp
index da06a4c0d62d762162e2b3372ebfae608992bdda..50e242022f705248cc28b94315c74353198392c1 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_F_2xmm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp
index fe549484b133a16401b72b6e86b3ab4de750ecbc..e38e5ce8ddc432157a0c005410f13955e6b00e51 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VF_2xmm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp
index d21472cc81715a6b5711f2a1f2b23d7b7349e7e0..d69c2350d08cf880eb4ed1b2f151740b76bc8155 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_
                                                   nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp
index 0732716623bd0a234f5365cd26f31770c2a952af..492025318f72e34ede5315c13a1c1d08e56939cc 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJFSw_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp
index 7d9637b9c298420e75f8c3b98f5acf3ed57e4b1a..cb675bfe078b4f1d4a8a5a98caddc3943ad3a786 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJFSw_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp
index 7d676edba0eba1de8c99ef2f099360aa2176c50a..1202bff8b03b311ac83678a297c5d718bf0dba32 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_FORCE_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJFSw_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp
index 9c00eb704a633d4eb3923b1313e794574eb46bc6..7c329247d0c26a512e489b2c400a1c4923677ac7 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJPSw_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp
index c010f661857f43a7c75f9faa5853076a9c8d7e2b..532ff54c75b9cc820e187fb951908001647a824a 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJPSw_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp
index 23aa6ed378051fd2ab03ec766496f787d4b6dd40..4d63e2f3220934fb75f3fc4ca253fee40fc252fb 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_POT_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJPSw_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp
index 999cde9ced0a467154aae97f9f2784519f2ad3a5..d5886300566ed3003f9a2f8d286f8a3f2da49c83 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJ_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp
index 3b23d4784a167cf5301981a3931f88c81f469ab5..df813fd2e77849a0c0cbb126bd877aea2ed24b59 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJ_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp
index d060c98cef913ac8e907c4e114bab476098ac0f0..303e1f529b5b9e46f977fb6db7117099d01e07b0 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJ_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp
index 86d90751d9f5c9fc14abc30dabe302d1077031e4..a7431502461335110b4deefa95df678e61e699a2 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJCombGeom_F_2xmm(const NbnxnPairlistCpu    gmx_unused *n
                                          nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp
index 99818fc5cdc118b37bf716e66e52cf14a8b2302a..e8f402a7b45d2aaf508e40ef14ac71aca53e67bb 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJCombGeom_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp
index b387862bfee8d790837d1c47db56b69c16d51b72..68854bb568a444c209c45fe755aa030e3b9fdccd 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJCombGeom_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unuse
                                              nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp
index 516b2e8afb58fed0cd9b0814cf351f6801ef2ca6..703f3dde71405cca9e73f7373a0decb1d0ca29ff 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJCombLB_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp
index ded7cc83b642263b3056945e56e8a2bda290b5b6..dc3c782d68d329595aa35a767f0026488f6af3b4 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJCombLB_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp
index 5ae8e705bb4a9c7b95909a3fcf274ed454a5a558..d723ea8ace3a4eeef2a87f4e7009ae998480b8f7 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJCombLB_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp
index 9d4383db77ec372ecb7dd1501ed092784bdb860b..c473a78bb07fd11480aef9fc45fc67995364dfc2 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJEwCombGeom_F_2xmm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp
index b46b3ac84dfc8e856157e86f7a49755d4ff16686..c7d60f5fa3c08d7bae13884ef7b532a6d2d8a9f1 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VF_2xmm(const NbnxnPairlistCpu    gmx_unused
                                             nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp
index adbac9660569ee79b92d11151bf5ad4e49521e5f..96e03a2739d45bcc5569e6a4e55a7838619b92d4 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp
index ab6ecca7d63beecef0ccf35e6d8be1356053e35a..3c2f1c0893d79922bdad724bd038f6ac90681a96 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJFSw_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp
index 3fbc4884f1a24359fa50b8a401a3d15982d035a2..8d9b89a773a0927b6e5bb7332e17f3e3d972786c 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJFSw_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp
index 5bd8c696b20bf9ad32f46bc7d52467e8ece60f46..109fd0d5bf8d2ea4335689f612c4a50c2c24ff7e 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_FORCE_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJFSw_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp
index 5fc6411b0bf96ece3449748f0961dd0bbbe1d264..6ff8191c8b41cbd80822d3fd67b75f157a93e2e8 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJPSw_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp
index 09b6103cafc31e4bb105dd6889350a5f7deda282..baaf19abca2ba0499964bc64d633937780246a6c 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJPSw_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp
index 5e5ea686012509672aced3e6d1b6fb57028f6844..a34e22876155a9107a97573b122d4c28f336164f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_POT_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJPSw_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp
index bbbe4ed220e49555481e7a29d677d787b629c276..db7683699e46524c7dc63560c352e6cc3d73f7be 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJ_F_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp
index 64dc8cfc818d06ee72df400016b877e370e6993b..3876f74830baca6629531c4f8b9fba0e82701e69 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJ_VF_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                   nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp
index 2351f9491c1f19465c49e42531fcba7b6263d1c1..86f7a2749935c5d75280be09556fda248af665f7 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_2XNN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJ_VgrpF_2xmm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_2XNN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h
index 5fda72098b377939a0013d5964d0ad717a877ca5..c69a9caea40ff1e50c64a64f2271c5aa0a50c2b7 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h
@@ -572,13 +572,13 @@
 #define CHECK_EXCLS
             while (cjind < cjind1 && nbl->cj[cjind].excl != NBNXN_INTERACTION_MASK_ALL)
             {
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h"
+#include "kernel_inner.h"
                 cjind++;
             }
 #undef CHECK_EXCLS
             for (; (cjind < cjind1); cjind++)
             {
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h"
+#include "kernel_inner.h"
             }
 #undef HALF_LJ
 #undef CALC_COULOMB
@@ -590,13 +590,13 @@
 #define CHECK_EXCLS
             while (cjind < cjind1 && nbl->cj[cjind].excl != NBNXN_INTERACTION_MASK_ALL)
             {
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h"
+#include "kernel_inner.h"
                 cjind++;
             }
 #undef CHECK_EXCLS
             for (; (cjind < cjind1); cjind++)
             {
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h"
+#include "kernel_inner.h"
             }
 #undef CALC_COULOMB
         }
@@ -606,13 +606,13 @@
 #define CHECK_EXCLS
             while (cjind < cjind1 && nbl->cj[cjind].excl != NBNXN_INTERACTION_MASK_ALL)
             {
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h"
+#include "kernel_inner.h"
                 cjind++;
             }
 #undef CHECK_EXCLS
             for (; (cjind < cjind1); cjind++)
             {
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h"
+#include "kernel_inner.h"
             }
         }
 #undef CALC_LJ

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp
index 30e67265af2fc775e1de7a9f30926065e661dabc..1dc9024565a3cbf39878ad7d43c58af4e641e6fb 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp
@@ -44,7 +44,7 @@
 
 #ifdef GMX_NBNXN_SIMD_2XNN
 #define GMX_SIMD_J_UNROLL_SIZE 2
-#include "gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h"
+#include "kernel_common.h"
 #endif
 
 /* Prune a single nbnxn_pairtlist_t entry with distance rlistInner */

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h
index 92504cf9b7eaebf51e80791ed8a1e5a6a3f9f7fb..a22812328521a4f2bce8c0d60f39c11aed955aa6 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h
@@ -39,6 +39,7 @@
  * Declares the SIMD 2xNN pruning only kernel.
  *
  * \author Berk Hess <hess@kth.se>
+ * \ingroup module_nbnxm
  */
 
 #include "gromacs/math/vectypes.h"

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernels.h b/src/gromacs/nbnxm/kernels_simd_2xmm/kernels.h
index e287e8d14353feee20ea8c26c59c30d8cf37105f..52ba3fc0df5249675df6f6ca48a0522b65856068 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernels.h
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernels.h
@@ -42,36 +42,36 @@
 
 /* Declare all the different kernel functions.
  */
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombGeom_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombLB_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJ_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJFSw_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJPSw_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombLB_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJ_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJFSw_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJPSw_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombGeom_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombLB_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJ_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJFSw_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJPSw_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJ_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_2xmm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJCombGeom_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJCombLB_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJ_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJFSw_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJPSw_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJEwCombGeom_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJCombGeom_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJCombLB_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJ_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJFSw_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJPSw_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJCombGeom_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJ_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJFSw_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJPSw_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJEwCombGeom_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJ_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_F_2xmm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_2xmm;
 
 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombGeom_VF_2xmm;
 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombLB_VF_2xmm;
@@ -104,36 +104,36 @@ nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VF_2xmm;
 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VF_2xmm;
 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF_2xmm;
 
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJCombGeom_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJCombLB_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJ_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJFSw_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJPSw_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJEwCombGeom_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJCombGeom_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJCombLB_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJ_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJFSw_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJPSw_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJCombGeom_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJ_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJFSw_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJPSw_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJEwCombGeom_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJ_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_F_2xmm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombGeom_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombLB_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJ_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJFSw_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJPSw_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombLB_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJ_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJFSw_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJPSw_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombGeom_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombLB_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJ_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJFSw_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJPSw_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJ_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_2xmm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_2xmm;
 
 
 

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp
index 7c2a6a523231d6b1687535709867f1df6457ed06..56f1e44ae7f659bef53dad9b3e4ccee44291179b 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_F_4xm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp
index 49d7ef9c23cfe44210eeec2e64316e7631663c9a..ffc0b340818043c72af77508d536857916511f12 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VF_4xm(const NbnxnPairlistCpu    gmx_un
                                                 nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp
index 791b16808c2034ff4647c1e8da7fca8039e1b7d8..bec89c4b0499fae28b3130613ef31ae6153b580a 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_4xm(const NbnxnPairlistCpu    gmx
                                                    nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp
index de50e9a14734feb894317d99889e19e335233ac4..69d71d51f8eca427916e3797e1429c6d69e5a3dc 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_F_4xm(const NbnxnPairlistCpu    gmx_unuse
                                              nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp
index d685fb389a23364cb40030130980c086fa49775c..40cb3d89783d66a32913c8de59e63d1d7a0010d2 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VF_4xm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp
index 86844e2cb04ff9b5bcc5de53f35ddd90f1f11851..ef64e7e0b0c826fb17f11626e546db36b935f838 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xm(const NbnxnPairlistCpu    gmx_u
                                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp
index 41295eafd811336a0876092aaf7197e7bac2a985..aefe586cd7a1fd0441dcb941500ee5ea11ab1e60 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_4xm(const NbnxnPairlistCpu    gmx_u
                                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp
index 838ee07aafbabaefd202fb520dfd446e1dc5fb27..6e0969e1c6402794c36e2cdd649b439e3072352c 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF_4xm(const NbnxnPairlistCpu    gmx_
                                                   nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp
index b681ad0f5600b884943f1ae6522152ccdb88c73e..52604e9c0cf442043244d73cd7c3c0d89c55075e 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -60,7 +60,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -79,7 +79,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_4xm(const NbnxnPairlistCpu    g
                                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp
index 804221c26749a016d97e9dbdc6d8f30f749ae946..d9c0de482cf56931a04616ea33074652dc0ea840 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_F_4xm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp
index e3bf4ee259ed31205832bd9211e053740e2d300e..0521bdba6c832ff565001cd67a4b14fb571a6041 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VF_4xm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp
index a3834564eae8c6a461e5ff1dc65fc5ca5dd52c61..bfc9f0eaa8489c48ca6af7e9a42bf81106cc1986 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp
index 143052e50cf516c663b3d24e4d10df9111e70b90..aa607fa69d44c758a5b8bda103f7f951b5252ab6 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_F_4xm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp
index 885eb5db3145e37690e82f10215fb172dd57e0a7..33de743c76b9c3dbd2801d7857db756705fadbc2 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VF_4xm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp
index cc002f4fba8c545f536ea950f480cfcb1a480052..5cf3e429844ec7ba6ff89bb7545b46f30cec0035 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp
index c68b5f74681fe5d6f08c28c8e94bc2eaeac58d79..1fa321b188ee2e0edf2fa2f494df7bc08382bfca 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJ_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp
index 4c6207f64c8b357ab5731a9a74c4e1c1da8143b3..c0239f5e5c0ed48537eea6a09fa81182ccf49913 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJ_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp
index 3fbc1dc0e7979b531418f401297b7f14a4ca1de9..a9fbb7bfd666ecdd4a2fcd653737c59b3826686e 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEwTwinCut_VdwLJ_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp
index 8b76dff1df734087671299c8ccaa0fa8b89ce9bb..f79a8b4ec2a75f031af6c78e30ffdc5b73b21ee2 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJCombGeom_F_4xm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp
index 38cbaa6d121b8773a238f7700efffa0029b5a536..ca9f25d6e5927407fbf67b761a6a9e088885649b 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJCombGeom_VF_4xm(const NbnxnPairlistCpu    gmx_unused *n
                                          nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp
index acf0a2da3b742b6f8b48eaa8bc3affc5618b6856..ef045e2b37b4182c5b72c8a7d457362cc0939914 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJCombGeom_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused
                                             nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp
index 10c8cce853a41885af560df6457b10171af0f800..cd2b5b55d8c1826ce3eb120dd5c6feec0f11ca6f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                       nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp
index 7ff8d6a7f12ee6750971ebf7300f81ddf788552b..4592c0888f89b00ef00a192856f9c612116c1669 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp
index 6851a41b9fd6df825494f9b6ff0b6b1ec77139d1..1c8a5451314384d04d21cac9c241bc44920b6f7f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJCombLB_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp
index 7456858ce1f324f43edb8686c6634c93c9ebf429..3d8ce55d0e8b496b2802be3c5f0c3e463c7c458b 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJEwCombGeom_F_4xm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp
index c30eefeb3b2a3e47692170bce3300f79ae6a08fd..09f6bf88380e18ae45fdca123677e20632d86ba4 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VF_4xm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp
index 93598b1f9d67b87e3f471bdadb506904bed133e4..935e5abf5231f8d9ae3ed17a6fd3be9723b8c35f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp
index 16fcfb27de7cd1adc6541dcaec9e839e55a9e455..1844fe305da42215a4969ec2a6f460a6612858de 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJFSw_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                    nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp
index c28305e3d99b0b06adfb8eec74002c6a27a04518..af339d9eb5eae1e00371a924854cef9858502c05 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJFSw_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp
index 6c47ff6139b19bae8d2266ec92871df234085924..92e4320554aa5f5c5cdda0b3b9b7ae4b87ec5907 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_FORCE_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJFSw_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp
index ef6681da4fbe6fdbf1bf8f717160e0116e56dd7c..73d27bc5e73de3d1f781620dec221d3798596004 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJPSw_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                    nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp
index 16618de5daeedb6365b7082e3a21e904f9eda25b..46d71ab0beffe3e51ca23e3a6c187aef85603e7d 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJPSw_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp
index bc940bd8f0c0a326dc7a6f447c97212e221de7f1..a8b471acd215f6b4bf962922830fca12f149ca68 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_POT_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJPSw_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp
index e3ef804746a0830c8736a56a2d8a1bd8fe6d4dc4..d98a3070f3b7a9d55c1fffbf5908e3568a4dddcc 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJ_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                 nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp
index 0d271ec000560d454c64f69376a1e597254c2232..f56f84ac16811bef5fedd51e1b6136af630f7d88 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecEw_VdwLJ_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp
index 3ed03df65ccdbc945629348dcac380d19e7bc616..c67878107318bae1d4f899c0dcca46c93c32cd60 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_EWALD
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecEw_VdwLJ_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp
index 5fe162e16f53f3d31a40b12ddc8db39c0c68edfb..9da9e06358a86aabbe6cfb2b9e4425a0f8dafd16 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_4xm(const NbnxnPairlistCpu    gmx_
                                                   nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp
index 6ab41b9ede4eb66bce423e95dfa16469b02f9197..e52981e7551b9cc878cf9cd0a0e40dcbd630d0c3 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF_4xm(const NbnxnPairlistCpu    gmx
                                                    nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp
index 51a3671ae00bcf41b7b0da783c8e1d0b323f1518..d2096a3a40720da095eca34cad6d2b27f5a96a98 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_4xm(const NbnxnPairlistCpu
                                                       nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp
index eb1a0dfe93e5c8cfd0eefcd5c86331fc28adfa64..2cd9431c68eec03139eb0a9170d39c2d6b3b6cee 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_4xm(const NbnxnPairlistCpu    gmx_un
                                                 nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp
index 2f7261c2fa2f74089ccd7a7a0ed1de46ba13166d..4b2ec4f101529816401b7a7f6d63951234bb6739 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VF_4xm(const NbnxnPairlistCpu    gmx_u
                                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp
index fee9517837bc4c3124eed3de97c9bcd3d5c4d244..2e72c533d1c9de76c77872bd2ffce5abc897a094 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_4xm(const NbnxnPairlistCpu    gm
                                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp
index b0cacb3b39ec0585180ba3d4d36b34c4592e53ff..4b8ee4d3f6b5911c832cc300b7a88f29df7df4d5 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_4xm(const NbnxnPairlistCpu    gm
                                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp
index fac971804421c17cdf892b652e256c5631902c34..dc1a1b329e93b443156591c2c5ec1759d1313299 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF_4xm(const NbnxnPairlistCpu    g
                                                      nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp
index ee0a23c5fe5b1c61aeac3875331efa786a36926f..995d645030463930cfee5c0085387fe72358e601 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -60,7 +60,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -79,7 +79,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_4xm(const NbnxnPairlistCpu
                                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp
index 6719541a0bdea4681d1469e534694d563d494c6d..1c208163c621957ec7d56727c9651559dadffe1e 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_F_4xm(const NbnxnPairlistCpu    gmx_unuse
                                              nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp
index 627807ba893491d81350b4b9f6966d261989468d..3cca2781e749782761136c5d5a167e6d7b1fc198 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VF_4xm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp
index fa31c986737b5739e70b6c4a7273fe33d074e3e9..dc1532155e36b8f14d9f709b36e2dac69236cfb8 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_4xm(const NbnxnPairlistCpu    gmx_u
                                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp
index 25b256093787d6d5a8075ce4862b9d87a22a6243..5f18a79d02cfe101006c31c45b46d2a956ba5b40 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_F_4xm(const NbnxnPairlistCpu    gmx_unuse
                                              nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp
index 342988975175f3a968e9d14bdccf0601dd6e3fba..156a9637bf3262ca87ae55c4144c3f8f6cf71e98 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VF_4xm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp
index 5953b4cbba03746c79b0beb9753ad95f057b1fec..0aaab4dcbf7e3497de50906e973800270d21b011 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_4xm(const NbnxnPairlistCpu    gmx_u
                                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp
index fb636bb806594eb4c7126fd870a4ac044fe21591..4372f4eee69a226d56d771dc9b931219cf80372f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_F_4xm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp
index a716118b71f24efa12b1b52e70940e33964b9c29..60b4030f2dc80b9d8fdba58d3125b18e3650bff2 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VF_4xm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp
index f758f1c9ec4921a5cd484beba024f33f6a086751..698900695b274de5d2b230abed524e61c2efeca3 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define VDW_CUTOFF_CHECK /* Use twin-range cut-off */
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp
index 369bdefac6662cc1aa31087c1901a1ba0e4e1f65..d6bd1c18db9b2fa7e11255e55936d74a33b7fdf6 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombGeom_F_4xm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp
index 5f000a5ca0c16fec3782309db08a42f9a22aef91..19fac05b230b6d457b4bacc5b78b2a028c76a12a 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VF_4xm(const NbnxnPairlistCpu    gmx_unused
                                             nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp
index d0d81bfc08787acad2b08e4c3ffe1e13e23e25c7..6df4d69625e0ff7de94cbfac5c3657185eb5bfc5 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unu
                                                nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp
index 3c7ee01f6925a1658b399cc8ce6fb1a52f0f8205..4b2b6b7582ffd8d943d4771fc56ff35910e26939 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombLB_F_4xm(const NbnxnPairlistCpu    gmx_unused *n
                                          nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp
index bb0069b7c2af3998d06dab23e917faafa2acf862..b9310d5381aa7c19af7ac88f675559097913e952 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombLB_VF_4xm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp
index b1a8763dc9943fdb413064da513ef3452aff7447..4946c77b660e55a618df17740bbaf80dd8a00996 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJCombLB_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unuse
                                              nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp
index 1817c157746f56fb386eea9310b2a4b6f655ba79..6efe19d96d1ea1716ccb7f05f0d58d3125f7f1f0 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_F_4xm(const NbnxnPairlistCpu    gmx_unuse
                                              nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp
index 5ba3421bc23c725e631ff2c0ddbdddda4b13c546..b117989e3e6819fec9e8916ffc8d718e7c472c56 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VF_4xm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp
index 7f1f2c337051d78f3f6794e44a2fea63d2ace69d..77a76c69bed15fcbd4cef7a04a8684dfdb8de4a7 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_4xm(const NbnxnPairlistCpu    gmx_u
                                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp
index 2db415656d53922ad4936b3df0cd055d2fa42854..92f4a0e6fbc6271e00d33d64fe58d2ace961251d 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJFSw_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                       nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp
index 9a2c8694c9842309721ead6beb4785b5f2f3ad5a..ec53a50c73dd4ee45e67f245c3fb08fa848445ff 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJFSw_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp
index 40f61aafbf6595afffab112e888c079bd096614f..71714182b9dac0953ace1f385b9cd3e9a5d0faa3 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_FORCE_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJFSw_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp
index 7f1c0178eeca5c8b097b103d1ff92bf7a6fb02b9..bbd30f5979a5929f8ad2f2d80f370a9d6704ec1e 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJPSw_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                       nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp
index b53b9a92d6d7d001649cb9b73d7b444353e1b2bb..38aabeb1e4b8a6e95053fc376ef89adf73f49510 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJPSw_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp
index e7e875982aaf5162d051768b67ce0317384c6cb6..d116aacc11514b2305d09bef652814c12acf8d5b 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_POT_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJPSw_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp
index c651a628de39c3cfa2de893083e5fa54b0dce0f4..87f945393f5962c1b77034d6a00960d5e30303d6 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJ_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                    nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp
index 6a3df8e756f8bef0672da613c76f38320db79932..c9a7da6779843c8c20398f1b2de14de57bf42553 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecQSTab_VdwLJ_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp
index 846566ce99afabda9fc96abf199ae06a4a3e1fcc..170607e1081f1c36a2fda9a2552033cd7369c870 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_TAB
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecQSTab_VdwLJ_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp
index b8b18d758be2ea70e9e526b614e931c5d1588684..303c1c7fee613ecc09063520f6f5c9bc012e7d57 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJCombGeom_F_4xm(const NbnxnPairlistCpu    gmx_unused *nb
                                         nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp
index 27bbc7a76a1081e5d9aaf394624c76c4f136f626..4cfcdb74dfcf328600290ac586f417f2ebcb59a2 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJCombGeom_VF_4xm(const NbnxnPairlistCpu    gmx_unused *n
                                          nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp
index 85d06fe7e1afeaec9c93a73e7de3edcc620fd881..6798cc21335507edde8109a5f015c6ae3814575b 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJCombGeom_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused
                                             nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp
index 683922db9a9b6d1339bd5d6fadacc2159843b5dd..15c19aef02b7762e653d2280b5c17e0349e60fd4 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJCombLB_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                       nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp
index ca04a22f79aa3085ac2e26ed40e1119537281e41..7b943bc3d84c622c60fe58cea30b9e69c939a0f5 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJCombLB_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp
index 740daa964edbbcff28cf97d79408a5c5c410ec99..0e3204140b6a1803c69bac07e5064b9caa0811fe 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJCombLB_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp
index dfbbedd6dd0189819d6f9298e4b49cf88e9e16d8..ceeeb64967d8a87cd920bfd85695fe0d44b94c4a 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -58,7 +58,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJEwCombGeom_F_4xm(const NbnxnPairlistCpu    gmx_unused *
                                           nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp
index de0d641f092444b7f83b6fbe3a05d094f4ad00b1..d3fc817bbac958336837c71c94bbeaa9debb2f46 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VF_4xm(const NbnxnPairlistCpu    gmx_unused
                                            nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp
index fe4c3ae1d80b8a68700d29ed850d578e4ae30a4e..8bff4e688fd47cb562a7325172b6ef08ac4009a4 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -59,7 +59,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -78,7 +78,7 @@ nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unus
                                               nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp
index f8f6fb647d38e40d64e806e259c4a9667691517b..7f81b50a866a4d5c695738f97e95dd172c6ac63d 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJFSw_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                    nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp
index a639ba911a71711b9853634f6e92e2e1cf960418..2d9aa86a0a545dbad9a03afa8207b9cc27b1a0ad 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_FORCE_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJFSw_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp
index 577788998fc6630775f06285a68b7129a1bb081f..1816abf2d9d563bafe6e1e8fdbb993c54b5ed321 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_FORCE_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJFSw_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp
index 3a82d95e0cb9c69c3567e1e278e477f0812af624..f2a83db3b5bce09e9c26ab8afe5ac3a35263a038 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJPSw_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                    nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp
index 0e0223a9f1e58f36f813d20523a36633688028bd..720144261f81437e2bb0a8882982a10153bb0e60 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_POT_SWITCH
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJPSw_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp
index bbfaa18662b360e41f2703434ddf922fda184a29..0fa843ae5f895113fb21079f8107b6d36bdf6495 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_POT_SWITCH
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJPSw_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl
                                        nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp
index 22a0accf01f7ab88a2be57d6055a14d85053c971..f2a47c6c2c5e532da9499f8273b35e5d78110020 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 /* Will not calculate energies */
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJ_F_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                 nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp
index f55d76a336d11275813002d5f2f24c714ac8582c..2efd7e5360586cf8b957bb4b613c393723c9d595 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -57,7 +57,7 @@
 #define CALC_ENERGIES
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -76,7 +76,7 @@ nbnxm_kernel_ElecRF_VdwLJ_VF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                  nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp
index 18f89e1c46281e95529b0b42f64f1ef97c978233..954585210b436a2be635c466a4f3ad308500988f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp
@@ -49,7 +49,7 @@
 #include "gromacs/nbnxm/nbnxm_simd.h"
 
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernels.h"
+#include "kernels.h"
 
 #define CALC_COUL_RF
 #define LJ_CUT
@@ -58,7 +58,7 @@
 #define ENERGY_GROUPS
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif /* GMX_NBNXN_SIMD_4XN */
 
 #ifdef CALC_ENERGIES
@@ -77,7 +77,7 @@ nbnxm_kernel_ElecRF_VdwLJ_VgrpF_4xm(const NbnxnPairlistCpu    gmx_unused *nbl,
                                     nbnxn_atomdata_output_t   gmx_unused *out)
 #endif /* CALC_ENERGIES */
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h"
+#include "kernel_outer.h"
 #else /* GMX_NBNXN_SIMD_4XN */
 {
 /* No need to call gmx_incons() here, because the only function

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h
index 217985d56bc0f91c762c0b32e8eb95f560c415a7..be3eeeba1f3235fcf68b16f212be723434120b8f 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h
@@ -616,13 +616,13 @@
 #define CHECK_EXCLS
             while (cjind < cjind1 && nbl->cj[cjind].excl != NBNXN_INTERACTION_MASK_ALL)
             {
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h"
+#include "kernel_inner.h"
                 cjind++;
             }
 #undef CHECK_EXCLS
             for (; (cjind < cjind1); cjind++)
             {
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h"
+#include "kernel_inner.h"
             }
 #undef HALF_LJ
 #undef CALC_COULOMB
@@ -634,13 +634,13 @@
 #define CHECK_EXCLS
             while (cjind < cjind1 && nbl->cj[cjind].excl != NBNXN_INTERACTION_MASK_ALL)
             {
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h"
+#include "kernel_inner.h"
                 cjind++;
             }
 #undef CHECK_EXCLS
             for (; (cjind < cjind1); cjind++)
             {
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h"
+#include "kernel_inner.h"
             }
 #undef CALC_COULOMB
         }
@@ -650,13 +650,13 @@
 #define CHECK_EXCLS
             while (cjind < cjind1 && nbl->cj[cjind].excl != NBNXN_INTERACTION_MASK_ALL)
             {
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h"
+#include "kernel_inner.h"
                 cjind++;
             }
 #undef CHECK_EXCLS
             for (; (cjind < cjind1); cjind++)
             {
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h"
+#include "kernel_inner.h"
             }
         }
 #undef CALC_LJ

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp
index 6d46acff1e60518c3411b348f9720020a2cfcc54..c162aee5ddcb3cf1cf85807b426c987d22af08e0 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp
@@ -44,7 +44,7 @@
 
 #ifdef GMX_NBNXN_SIMD_4XN
 #define GMX_SIMD_J_UNROLL_SIZE 1
-#include "gromacs/nbnxm/kernels_simd_4xm/kernel_common.h"
+#include "kernel_common.h"
 #endif
 
 /* Prune a single nbnxn_pairtlist_t entry with distance rlistInner */

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.h b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.h
index 47950fc86b660d7f702f85930d59f41673dc69aa..4e0ad9f956824c66826eb13f9153edde89f0d3ff 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.h
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.h
@@ -39,6 +39,7 @@
  * Declares the SIMD 4xN pruning only kernel.
  *
  * \author Berk Hess <hess@kth.se>
+ * \ingroup module_nbnxm
  */
 
 #include "gromacs/math/vectypes.h"

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernels.h b/src/gromacs/nbnxm/kernels_simd_4xm/kernels.h
index 3ad2c58784d506b5394d8b044d337e393dd7cf85..afe1cff7bc6c17c6c4c38961439d74d2513efaac 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernels.h
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernels.h
@@ -42,36 +42,36 @@
 
 /* Declare all the different kernel functions.
  */
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombGeom_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombLB_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJ_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJFSw_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJPSw_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombLB_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJ_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJFSw_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJPSw_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombGeom_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombLB_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJ_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJFSw_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJPSw_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJ_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_4xm;
-nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_4xm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJCombGeom_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJCombLB_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJ_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJFSw_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJPSw_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJEwCombGeom_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJCombGeom_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJCombLB_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJ_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJFSw_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJPSw_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJCombGeom_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJ_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJFSw_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJPSw_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJEwCombGeom_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJ_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_F_4xm;
+nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_4xm;
 
 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombGeom_VF_4xm;
 nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombLB_VF_4xm;
@@ -104,36 +104,36 @@ nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VF_4xm;
 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VF_4xm;
 nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF_4xm;
 
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJCombGeom_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJCombLB_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJ_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJFSw_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJPSw_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecRF_VdwLJEwCombGeom_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJCombGeom_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJCombLB_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJ_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJFSw_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJPSw_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJCombGeom_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJ_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJFSw_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJPSw_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEw_VdwLJEwCombGeom_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJ_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_F_4xm;
-nbk_func_noener       nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_4xm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombGeom_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJCombLB_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJ_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJFSw_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJPSw_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombGeom_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJCombLB_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJ_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJFSw_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJPSw_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJ_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombGeom_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJCombLB_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJ_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJFSw_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJPSw_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEw_VdwLJEwCombGeom_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJ_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJFSw_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJPSw_VgrpF_4xm;
+nbk_func_ener         nbnxm_kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF_4xm;
 
 
 

diff --git a/src/gromacs/nbnxm/nbnxm.cpp b/src/gromacs/nbnxm/nbnxm.cpp
index 5c6967bb65f909dad4dd5f2be85bfea907f36a96..88e6169b71791aa19c2ee75e2a1b0a1041d1605d 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm.cpp
+++ b/src/gromacs/nbnxm/nbnxm.cpp
@@ -46,9 +46,9 @@
 #include "nbnxm.h"
 
 #include "gromacs/domdec/domdec_struct.h"
-#include "gromacs/nbnxm/atomdata.h"
 #include "gromacs/timing/wallcycle.h"
 
+#include "atomdata.h"
 #include "pairlistsets.h"
 #include "pairsearch.h"
 

diff --git a/src/gromacs/nbnxm/nbnxm.h b/src/gromacs/nbnxm/nbnxm.h
index 991f21692e9f0ad6665bd633d18d6030ee2688a5..3be931f7d98db9a76b4bf8da0f945234b15403c5 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm.h
+++ b/src/gromacs/nbnxm/nbnxm.h
@@ -80,6 +80,18 @@
  * TODO: add more authors!
  */
 
+/*! \libinternal
+ * \defgroup module_nbnxm Non-bonded pair interactions
+ * \ingroup group_mdrun
+ * \brief
+ * Implements non-bonded pair interaction functionality for NxM atom clusters.
+ *
+ * This module provides methods to, very efficiently, compute non-bonded
+ * pair interactions on CPUs as well as accelerators. It also provides
+ * a method to construct the NxM atom-cluster pair-list required for
+ * computing these non-bonded iteractions.
+ */
+
 /*! \libinternal \file
  *
  * \brief This file contains the public interface of the nbnxm module
@@ -91,7 +103,7 @@
  * \author Szilárd Páll <pall.szilard@gmail.com>
  *
  * \inlibraryapi
- * \ingroup __module_nbnxm
+ * \ingroup module_nbnxm
  */
 
 

diff --git a/src/gromacs/nbnxm/nbnxm_geometry.cpp b/src/gromacs/nbnxm/nbnxm_geometry.cpp
index c164034c790106afd67036eeb5b3c510914cef56..ff1f6ee1d1900307460806d8df56d9eee33c3ddd 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm_geometry.cpp
+++ b/src/gromacs/nbnxm/nbnxm_geometry.cpp
@@ -38,10 +38,11 @@
 #include "nbnxm_geometry.h"
 
 #include "gromacs/nbnxm/nbnxm.h"
-#include "gromacs/nbnxm/pairlist.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/real.h"
 
+#include "pairlist.h"
+
 /* Clusters at the cut-off only increase rlist by 60% of their size */
 static constexpr real c_nbnxnRlistIncreaseOutsideFactor = 0.6;
 

diff --git a/src/gromacs/nbnxm/nbnxm_geometry.h b/src/gromacs/nbnxm/nbnxm_geometry.h
index c43e22e7ba1ed522993b8ddcbea9435cc0efc367..5c0e217ffdfe8a62c9b3a91a9b1def8e57625cf3 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm_geometry.h
+++ b/src/gromacs/nbnxm/nbnxm_geometry.h
@@ -38,10 +38,12 @@
 
 #include "gromacs/math/vectypes.h"
 #include "gromacs/nbnxm/nbnxm.h"
-#include "gromacs/nbnxm/pairlist.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/utility/fatalerror.h"
 
+#include "pairlist.h"
+
+
 /* Returns the base-2 log of n.
  * Generates a fatal error when n is not an integer power of 2.
  */

diff --git a/src/gromacs/nbnxm/nbnxm_gpu.h b/src/gromacs/nbnxm/nbnxm_gpu.h
index f661a19ca1a4ea4759c2b295435677f7d5fd20ef..ae396e90897c74a55903b44766db85749ca756bf 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm_gpu.h
+++ b/src/gromacs/nbnxm/nbnxm_gpu.h
@@ -45,10 +45,10 @@
 
 #include "gromacs/gpu_utils/gpu_macros.h"
 #include "gromacs/math/vectypes.h"
-#include "gromacs/nbnxm/atomdata.h"
 #include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/real.h"
 
+#include "atomdata.h"
 #include "gpu_types.h"
 #include "locality.h"
 

diff --git a/src/gromacs/nbnxm/nbnxm_setup.cpp b/src/gromacs/nbnxm/nbnxm_setup.cpp
index 8c0b73608336637a0b20eb7ee7d3260c224e0ab2..cd13b9cc44656f28e9280c54c5f6199afc538412 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm_setup.cpp
+++ b/src/gromacs/nbnxm/nbnxm_setup.cpp
@@ -49,19 +49,19 @@
 #include "gromacs/mdtypes/commrec.h"
 #include "gromacs/mdtypes/forcerec.h"
 #include "gromacs/mdtypes/inputrec.h"
-#include "gromacs/nbnxm/atomdata.h"
 #include "gromacs/nbnxm/gpu_data_mgmt.h"
 #include "gromacs/nbnxm/nbnxm.h"
-#include "gromacs/nbnxm/nbnxm_geometry.h"
-#include "gromacs/nbnxm/nbnxm_simd.h"
-#include "gromacs/nbnxm/pairlist.h"
 #include "gromacs/nbnxm/pairlist_tuning.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/logger.h"
 
+#include "atomdata.h"
 #include "gpu_types.h"
 #include "grid.h"
+#include "nbnxm_geometry.h"
+#include "nbnxm_simd.h"
+#include "pairlist.h"
 #include "pairlistset.h"
 #include "pairlistsets.h"
 #include "pairsearch.h"

diff --git a/src/gromacs/nbnxm/opencl/nbnxm_ocl_consts.h b/src/gromacs/nbnxm/opencl/nbnxm_ocl_consts.h
index c2380121d495cb415ad17d27bdacd453a3978ccf..a49596223f9e61c85b6b285b6e5eb335fbd47f9f 100644 (file)
--- a/src/gromacs/nbnxm/opencl/nbnxm_ocl_consts.h
+++ b/src/gromacs/nbnxm/opencl/nbnxm_ocl_consts.h
@@ -39,6 +39,8 @@
  * \brief Macros defining platform-dependent defaults for the prune kernel's j4 processing concurrency.
  *
  *  The GMX_NBNXN_PRUNE_KERNEL_J4_CONCURRENCY macro allows compile-time override.
+ *
+ * \ingroup module_nbnxm
  */
 /*! @{ */
 #define GMX_NBNXN_PRUNE_KERNEL_J4_CONCURRENCY_DEFAULT       4

diff --git a/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp b/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp
index 4123a65e39f32176e07174cecec52246eb61e44b..35d5fea8d9b10c5f0d8c13b428ce4baccb86a45b 100644 (file)
--- a/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp
+++ b/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp
@@ -39,6 +39,7 @@
  *  \author Dimitrios Karkoulis <dimitris.karkoulis@gmail.com>
  *  \author Teemu Virolainen <teemu@streamcomputing.eu>
  *  \author Szilárd Páll <pall.szilard@gmail.com>
+ *  \ingroup module_nbnxm
  */
 #include "gmxpre.h"
 

diff --git a/src/gromacs/nbnxm/pairlist.cpp b/src/gromacs/nbnxm/pairlist.cpp
index 8b55a3a9ddd72fc2a829f260f51d17645999e06f..4ab89bc07258298f2eba27e76f899b7ef51cf72a 100644 (file)
--- a/src/gromacs/nbnxm/pairlist.cpp
+++ b/src/gromacs/nbnxm/pairlist.cpp
@@ -53,10 +53,7 @@
 #include "gromacs/mdlib/gmx_omp_nthreads.h"
 #include "gromacs/mdtypes/group.h"
 #include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/nbnxm/atomdata.h"
 #include "gromacs/nbnxm/gpu_data_mgmt.h"
-#include "gromacs/nbnxm/nbnxm_geometry.h"
-#include "gromacs/nbnxm/nbnxm_simd.h"
 #include "gromacs/pbcutil/ishift.h"
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/simd/simd.h"
@@ -67,9 +64,12 @@
 #include "gromacs/utility/gmxomp.h"
 #include "gromacs/utility/smalloc.h"
 
+#include "atomdata.h"
 #include "boundingboxes.h"
 #include "clusterdistancekerneltype.h"
 #include "gridset.h"
+#include "nbnxm_geometry.h"
+#include "nbnxm_simd.h"
 #include "pairlistset.h"
 #include "pairlistsets.h"
 #include "pairlistwork.h"
@@ -1079,10 +1079,10 @@ makeClusterListSimple(const Grid               &jGrid,
 }
 
 #ifdef GMX_NBNXN_SIMD_4XN
-#include "gromacs/nbnxm/pairlist_simd_4xm.h"
+#include "pairlist_simd_4xm.h"
 #endif
 #ifdef GMX_NBNXN_SIMD_2XNN
-#include "gromacs/nbnxm/pairlist_simd_2xmm.h"
+#include "pairlist_simd_2xmm.h"
 #endif
 
 /* Plain C or SIMD4 code for making a pair list of super-cell sci vs scj.

diff --git a/src/gromacs/nbnxm/pairlist.h b/src/gromacs/nbnxm/pairlist.h
index 19d898fcd0b9c603a162ae7d523ed53e62931036..6e2cf8bf55104a948f5d7a36188f1513132688b9 100644 (file)
--- a/src/gromacs/nbnxm/pairlist.h
+++ b/src/gromacs/nbnxm/pairlist.h
@@ -48,8 +48,7 @@
 
 // This file with constants is separate from this file to be able
 // to include it during OpenCL jitting without including config.h
-#include "gromacs/nbnxm/constants.h"
-
+#include "constants.h"
 #include "locality.h"
 #include "pairlistparams.h"
 

diff --git a/src/gromacs/nbnxm/pairlist_tuning.cpp b/src/gromacs/nbnxm/pairlist_tuning.cpp
index 91b4477e37a8a596d31e3021bc37236fcef8b397..d8a8859be82060782b488555adf766fe0321f031 100644 (file)
--- a/src/gromacs/nbnxm/pairlist_tuning.cpp
+++ b/src/gromacs/nbnxm/pairlist_tuning.cpp
@@ -38,7 +38,7 @@
  * \brief Implements functions for tuning adjustable parameters for the nbnxn non-bonded search and interaction kernels
  *
  * \author Berk Hess <hess@kth.se>
- * \ingroup __module_nb_verlet
+ * \ingroup module_nbnxm
  */
 
 #include "gmxpre.h"
@@ -60,7 +60,6 @@
 #include "gromacs/mdtypes/inputrec.h"
 #include "gromacs/mdtypes/interaction_const.h"
 #include "gromacs/mdtypes/state.h"
-#include "gromacs/nbnxm/nbnxm_geometry.h"
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/topology/topology.h"
 #include "gromacs/utility/cstringutil.h"
@@ -70,6 +69,7 @@
 #include "gromacs/utility/strconvert.h"
 #include "gromacs/utility/stringutil.h"
 
+#include "nbnxm_geometry.h"
 #include "pairlistsets.h"
 
 /*! \brief Returns if we can (heuristically) change nstlist and rlist

diff --git a/src/gromacs/nbnxm/pairlist_tuning.h b/src/gromacs/nbnxm/pairlist_tuning.h
index e3af9a42fb2064563d6ba43d3f1e14dabe95a566..bde3474bc32fbd124b66bcb839afa43d68094b7f 100644 (file)
--- a/src/gromacs/nbnxm/pairlist_tuning.h
+++ b/src/gromacs/nbnxm/pairlist_tuning.h
@@ -40,7 +40,7 @@
  * \author Berk Hess <hess@kth.se>
  *
  * \inlibraryapi
- * \ingroup __module_nb_verlet
+ * \ingroup module_nbnxm
  */
 
 #ifndef NBNXM_PAIRLIST_TUNING_H

diff --git a/src/gromacs/nbnxm/pairlistparams.cpp b/src/gromacs/nbnxm/pairlistparams.cpp
index ca27ef524632a9ff991874a39e2c0b2f4df1bc14..6deada069237e7145fc1fa6fc42f5d0d2cb9a3b0 100644 (file)
--- a/src/gromacs/nbnxm/pairlistparams.cpp
+++ b/src/gromacs/nbnxm/pairlistparams.cpp
@@ -46,9 +46,10 @@
 #include "pairlistparams.h"
 
 #include "gromacs/nbnxm/nbnxm.h"
-#include "gromacs/nbnxm/nbnxm_geometry.h"
 #include "gromacs/utility/gmxassert.h"
 
+#include "nbnxm_geometry.h"
+
 
 PairlistParams::PairlistParams(const Nbnxm::KernelType kernelType,
                                const bool              haveFep,

diff --git a/src/gromacs/nbnxm/pairlistset.h b/src/gromacs/nbnxm/pairlistset.h
index 6fbe2b17928c4ef0efe674a1723f8d55d4672715..2fad5d6f1771832c131ddc898e8c1f174d1e9579 100644 (file)
--- a/src/gromacs/nbnxm/pairlistset.h
+++ b/src/gromacs/nbnxm/pairlistset.h
@@ -52,11 +52,11 @@
 #include <memory>
 
 #include "gromacs/math/vectypes.h"
-#include "gromacs/nbnxm/pairlist.h"
 #include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/real.h"
 
 #include "locality.h"
+#include "pairlist.h"
 
 struct nbnxn_atomdata_t;
 struct PairlistParams;

diff --git a/src/gromacs/nbnxm/pairlistwork.h b/src/gromacs/nbnxm/pairlistwork.h
index 77dc96e7c16e05f70b0eb8e60fab0e02e8976223..5cd0c01fe4ef69f413061d064437a1ea979ac22a 100644 (file)
--- a/src/gromacs/nbnxm/pairlistwork.h
+++ b/src/gromacs/nbnxm/pairlistwork.h
@@ -39,7 +39,7 @@
  *
  * \author Berk Hess <hess@kth.se>
  *
- * \ingroup module_nbnxn
+ * \ingroup module_nbnxm
  */
 
 #ifndef GMX_NBNXM_PAIRLISTWORK_H
@@ -48,11 +48,11 @@
 #include <memory>
 #include <vector>
 
-#include "gromacs/nbnxm/pairlist.h"
 #include "gromacs/simd/simd.h"
 
 #include "boundingboxes.h"
 #include "grid.h"
+#include "pairlist.h"
 
 /* Working data for the actual i-supercell during pair search */
 struct NbnxnPairlistCpuWork

diff --git a/src/gromacs/nbnxm/pairsearch.cpp b/src/gromacs/nbnxm/pairsearch.cpp
index 2d425de5efa14fee9bf60fefeccb2cf6c703a9f9..5988ccbf22c6424410b90a42ef128547beb80792 100644 (file)
--- a/src/gromacs/nbnxm/pairsearch.cpp
+++ b/src/gromacs/nbnxm/pairsearch.cpp
@@ -45,9 +45,10 @@
 
 #include "pairsearch.h"
 
-#include "gromacs/nbnxm/pairlist.h"
 #include "gromacs/utility/smalloc.h"
 
+#include "pairlist.h"
+
 
 void SearchCycleCounting::printCycles(FILE                               *fp,
                                       gmx::ArrayRef<const PairsearchWork> work) const

diff --git a/src/gromacs/nbnxm/pairsearch.h b/src/gromacs/nbnxm/pairsearch.h
index 7bf8f421a38200b2b23f5158984ac68d45cdb2b7..42589320012c05c84d62b059a4aa5e1ed043e4fa 100644 (file)
--- a/src/gromacs/nbnxm/pairsearch.h
+++ b/src/gromacs/nbnxm/pairsearch.h
@@ -55,14 +55,14 @@
 
 #include "gromacs/domdec/domdec.h"
 #include "gromacs/math/vectypes.h"
-#include "gromacs/nbnxm/atomdata.h"
-#include "gromacs/nbnxm/pairlist.h"
 #include "gromacs/timing/cyclecounter.h"
 #include "gromacs/utility/alignedallocator.h"
 #include "gromacs/utility/arrayref.h"
 #include "gromacs/utility/real.h"
 
+#include "atomdata.h"
 #include "gridset.h"
+#include "pairlist.h"
 
 struct gmx_domdec_zones_t;
 struct PairsearchWork;