From c8a062b6d439ab51a216e2522f4651a802343d90 Mon Sep 17 00:00:00 2001 From: Berk Hess Date: Mon, 7 Oct 2019 11:59:56 +0200 Subject: [PATCH] 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 --- docs/doxygen/lib/nbnxm.md | 30 +++++ docs/doxygen/user/mainpage.md | 2 + src/gromacs/mdlib/sim_util.cpp | 1 - src/gromacs/nbnxm/atomdata.cpp | 4 +- src/gromacs/nbnxm/clusterdistancekerneltype.h | 2 +- src/gromacs/nbnxm/cuda/nbnxm_cuda.cu | 22 ++-- src/gromacs/nbnxm/cuda/nbnxm_cuda.h | 2 + .../nbnxm/cuda/nbnxm_cuda_kernel_F_noprune.cu | 6 +- .../nbnxm/cuda/nbnxm_cuda_kernel_F_prune.cu | 6 +- .../cuda/nbnxm_cuda_kernel_VF_noprune.cu | 6 +- .../nbnxm/cuda/nbnxm_cuda_kernel_VF_prune.cu | 6 +- .../cuda/nbnxm_cuda_kernel_pruneonly.cuh | 2 +- src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh | 84 ++++++------ src/gromacs/nbnxm/gpu_jit_support.h | 2 + src/gromacs/nbnxm/gpu_types_common.h | 2 +- src/gromacs/nbnxm/grid.cpp | 4 +- src/gromacs/nbnxm/gridset.cpp | 3 +- src/gromacs/nbnxm/kernel_common.cpp | 1 + src/gromacs/nbnxm/kernel_common.h | 6 +- .../kernel_simd_2xmm_kernel.cpp.pre | 4 +- .../kernel_simd_4xm_kernel.cpp.pre | 4 +- .../make_verlet_simd_kernel_files.py | 2 +- src/gromacs/nbnxm/kerneldispatch.cpp | 10 +- .../nbnxm/kernels_reference/kernel_ref.cpp | 30 ++--- .../kernels_reference/kernel_ref_includes.h | 6 +- .../kernels_reference/kernel_ref_outer.h | 12 +- .../kernels_reference/kernel_ref_prune.h | 1 + .../kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp | 6 +- ...rnel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp | 6 +- ...kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp | 6 +- ...kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp | 6 +- ...ernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp | 6 +- ...el_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJFSw_F.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJPSw_F.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJ_F.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJ_VF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJCombGeom_F.cpp | 6 +- .../kernel_ElecEw_VdwLJCombGeom_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJCombLB_F.cpp | 6 +- .../kernel_ElecEw_VdwLJCombLB_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJCombLB_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJEwCombGeom_F.cpp | 6 +- .../kernel_ElecEw_VdwLJEwCombGeom_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJFSw_F.cpp | 6 +- .../kernel_ElecEw_VdwLJFSw_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJFSw_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJPSw_F.cpp | 6 +- .../kernel_ElecEw_VdwLJPSw_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJPSw_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJ_F.cpp | 6 +- .../kernel_ElecEw_VdwLJ_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJ_VgrpF.cpp | 6 +- ...ernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp | 6 +- ...rnel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp | 6 +- ...l_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp | 6 +- ...kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp | 6 +- ...nel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp | 6 +- ...nel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp | 6 +- ...el_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp | 6 +- ...ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp | 6 +- ...kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp | 6 +- ...kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJ_F.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombGeom_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombGeom_VF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombLB_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombLB_VF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp | 6 +- ...kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJFSw_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJFSw_VF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJPSw_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJPSw_VF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJ_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJ_VF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJ_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJCombGeom_F.cpp | 6 +- .../kernel_ElecRF_VdwLJCombGeom_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJCombLB_F.cpp | 6 +- .../kernel_ElecRF_VdwLJCombLB_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJCombLB_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJEwCombGeom_F.cpp | 6 +- .../kernel_ElecRF_VdwLJEwCombGeom_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJFSw_F.cpp | 6 +- .../kernel_ElecRF_VdwLJFSw_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJFSw_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJPSw_F.cpp | 6 +- .../kernel_ElecRF_VdwLJPSw_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJPSw_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJ_F.cpp | 6 +- .../kernel_ElecRF_VdwLJ_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJ_VgrpF.cpp | 6 +- .../nbnxm/kernels_simd_2xmm/kernel_outer.h | 12 +- .../nbnxm/kernels_simd_2xmm/kernel_prune.cpp | 2 +- .../nbnxm/kernels_simd_2xmm/kernel_prune.h | 1 + src/gromacs/nbnxm/kernels_simd_2xmm/kernels.h | 120 +++++++++--------- .../kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp | 6 +- ...rnel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp | 6 +- ...kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp | 6 +- ...kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp | 6 +- ...ernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp | 6 +- ...el_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJFSw_F.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJPSw_F.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJ_F.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJ_VF.cpp | 6 +- .../kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJCombGeom_F.cpp | 6 +- .../kernel_ElecEw_VdwLJCombGeom_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJCombLB_F.cpp | 6 +- .../kernel_ElecEw_VdwLJCombLB_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJCombLB_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJEwCombGeom_F.cpp | 6 +- .../kernel_ElecEw_VdwLJEwCombGeom_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJFSw_F.cpp | 6 +- .../kernel_ElecEw_VdwLJFSw_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJFSw_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJPSw_F.cpp | 6 +- .../kernel_ElecEw_VdwLJPSw_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJPSw_VgrpF.cpp | 6 +- .../kernel_ElecEw_VdwLJ_F.cpp | 6 +- .../kernel_ElecEw_VdwLJ_VF.cpp | 6 +- .../kernel_ElecEw_VdwLJ_VgrpF.cpp | 6 +- ...ernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp | 6 +- ...rnel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp | 6 +- ...l_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp | 6 +- ...kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp | 6 +- ...nel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp | 6 +- ...nel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp | 6 +- ...el_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp | 6 +- ...ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp | 6 +- ...kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp | 6 +- ...kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJ_F.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp | 6 +- .../kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombGeom_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombGeom_VF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombLB_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombLB_VF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp | 6 +- ...kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJFSw_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJFSw_VF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJPSw_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJPSw_VF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJ_F.cpp | 6 +- .../kernel_ElecQSTab_VdwLJ_VF.cpp | 6 +- .../kernel_ElecQSTab_VdwLJ_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJCombGeom_F.cpp | 6 +- .../kernel_ElecRF_VdwLJCombGeom_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJCombLB_F.cpp | 6 +- .../kernel_ElecRF_VdwLJCombLB_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJCombLB_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJEwCombGeom_F.cpp | 6 +- .../kernel_ElecRF_VdwLJEwCombGeom_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJFSw_F.cpp | 6 +- .../kernel_ElecRF_VdwLJFSw_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJFSw_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJPSw_F.cpp | 6 +- .../kernel_ElecRF_VdwLJPSw_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJPSw_VgrpF.cpp | 6 +- .../kernel_ElecRF_VdwLJ_F.cpp | 6 +- .../kernel_ElecRF_VdwLJ_VF.cpp | 6 +- .../kernel_ElecRF_VdwLJ_VgrpF.cpp | 6 +- .../nbnxm/kernels_simd_4xm/kernel_outer.h | 12 +- .../nbnxm/kernels_simd_4xm/kernel_prune.cpp | 2 +- .../nbnxm/kernels_simd_4xm/kernel_prune.h | 1 + src/gromacs/nbnxm/kernels_simd_4xm/kernels.h | 120 +++++++++--------- src/gromacs/nbnxm/nbnxm.cpp | 2 +- src/gromacs/nbnxm/nbnxm.h | 14 +- src/gromacs/nbnxm/nbnxm_geometry.cpp | 3 +- src/gromacs/nbnxm/nbnxm_geometry.h | 4 +- src/gromacs/nbnxm/nbnxm_gpu.h | 2 +- src/gromacs/nbnxm/nbnxm_setup.cpp | 8 +- src/gromacs/nbnxm/opencl/nbnxm_ocl_consts.h | 2 + .../nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp | 1 + src/gromacs/nbnxm/pairlist.cpp | 10 +- src/gromacs/nbnxm/pairlist.h | 3 +- src/gromacs/nbnxm/pairlist_tuning.cpp | 4 +- src/gromacs/nbnxm/pairlist_tuning.h | 2 +- src/gromacs/nbnxm/pairlistparams.cpp | 3 +- src/gromacs/nbnxm/pairlistset.h | 2 +- src/gromacs/nbnxm/pairlistwork.h | 4 +- src/gromacs/nbnxm/pairsearch.cpp | 3 +- src/gromacs/nbnxm/pairsearch.h | 4 +- 232 files changed, 871 insertions(+), 810 deletions(-) create mode 100644 docs/doxygen/lib/nbnxm.md diff --git a/docs/doxygen/lib/nbnxm.md b/docs/doxygen/lib/nbnxm.md new file mode 100644 index 0000000000..c0c33386a0 --- /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 959f1e4176..450d853bd7 100644 --- 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
Documentation about the new SIMD module that makes it possible to write highly accelerated CPU code that is still portable. + - \subpage page_nbnxm
+ Documentation about the non-bonded module which uses NxM atom clusters. - \subpage page_awh
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 b9663c8ea5..c34b555985 100644 --- 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 5df9633e27..a4e7b0285d 100644 --- 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 ad5f25f373..0726ab1ac6 100644 --- 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 dba1ca8c82..ca88b5e94f 100644 --- 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 42296f62b2..f222cddaf0 100644 --- 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 1e17c44a05..6588bae729 100644 --- 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 dde88087ff..ae3a2159e5 100644 --- 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 c6dd13c49a..919cae365f 100644 --- 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 20e8fedfa0..fda040046d 100644 --- 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 994951babb..99801a70d1 100644 --- 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 323e6a671f..5bc27a0e98 100644 --- 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 29234e3d42..8aca815097 100644 --- a/src/gromacs/nbnxm/gpu_jit_support.h +++ b/src/gromacs/nbnxm/gpu_jit_support.h @@ -37,6 +37,8 @@ * * \author Dimitrios Karkoulis * \author Mark Abraham + * + * \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 4c57f22bcd..35270a8345 100644 --- 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 54b10eaf28..c6c000bc7c 100644 --- 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 e70763770a..b4d76234bf 100644 --- 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 55a470b08c..9c0dc97d8d 100644 --- 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 + * \ingroup module_nbnxm */ #include "gmxpre.h" diff --git a/src/gromacs/nbnxm/kernel_common.h b/src/gromacs/nbnxm/kernel_common.h index 7a2b97a7aa..16b3890a40 100644 --- 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 + * \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 28a9d829c9..ee2e981a0a 100644 --- 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 ac936a16a5..ee2e981a0a 100644 --- 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 1a1ffab795..0f435c2b89 100755 --- 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 f108413439..d7c68273e0 100644 --- 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 e953f51e9e..2ae8cb7b90 100644 --- 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 e85d399a6c..8b825baf96 100644 --- 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 b7eae847b2..c72d85f2ac 100644 --- 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 03dafde9dc..99ed0aad25 100644 --- 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 + * \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 2c12b9613d..5c31698d4e 100644 --- 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 a0d5e95805..099bca66f7 100644 --- 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 0992f32c7f..3803ed0b5d 100644 --- 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 b9541164ee..b1d19a5773 100644 --- 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 86f08d9ea6..e2519030b8 100644 --- 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 686ae1740e..7a31512b03 100644 --- 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 46c1cb41f5..ab8bf8040d 100644 --- 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 c4ea31e455..7fa0320f4d 100644 --- 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 0431f8cabe..88c5f39e56 100644 --- 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 89b648ca12..ed6dafc43c 100644 --- 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 0c69f94c5f..2a7917b77d 100644 --- 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 5ac6d6ce4f..bfb086f41e 100644 --- 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 514d4572a5..c0dffe53e4 100644 --- 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 e0d70ae7c3..657b03471f 100644 --- 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 bb503f4011..b1044f6ec5 100644 --- 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 7a24172c87..6b3fd93397 100644 --- 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 bdc7c9388a..da9c054153 100644 --- 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 2dc0cda73b..50300428a1 100644 --- 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 87d3558ec0..b6323323ef 100644 --- 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 d601be84a4..a97371bd92 100644 --- 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 41be71ad10..c2f21bede4 100644 --- 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 76e76cb96e..021a85bcbb 100644 --- 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 18d5accb97..aa0245727a 100644 --- 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 f5ca4b17c3..f74e7433ad 100644 --- 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 c39a549480..c3c0816b8c 100644 --- 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 d86f904289..17958821a7 100644 --- 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 7d20da375a..d590ea066a 100644 --- 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 b607a344d3..5e14ff7bbe 100644 --- 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 8597f6a5b7..732646f5b4 100644 --- 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 9cd0fb6960..8e777a8320 100644 --- 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 34da1266ad..2c320ec859 100644 --- 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 154be9e202..cccdfc3a34 100644 --- 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 0dfc5fd8a0..bcdb0c1db4 100644 --- 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 999bf168fa..6db73c6f5a 100644 --- 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 377ce92e7d..2a74fb38dc 100644 --- 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 cd32010336..bac6a86676 100644 --- 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 dca9524dec..e72c95c2e0 100644 --- 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 0e4c780ca8..bef740b5a8 100644 --- 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 cb9637b6b2..64272eafc5 100644 --- 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 0c8de6f915..c767d799b1 100644 --- 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 168c823712..7fb5f93ef0 100644 --- 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 0036b8d7dd..136fd24d4f 100644 --- 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 cf4ede9ec1..ca251ee586 100644 --- 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 d9ec2003c6..c26946ed8a 100644 --- 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 39f729ce54..c350fbf0b7 100644 --- 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 fae093689b..77788e08da 100644 --- 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 b3579eb145..dccb70c6e3 100644 --- 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 8919a06b50..a956a04f0c 100644 --- 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 3bb989c42e..3c7f67039b 100644 --- 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 08bef3cc56..836e7e660b 100644 --- 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 6166ff36cf..4ac50a3c7f 100644 --- 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 b4b6d4af71..527889957c 100644 --- 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 4497b91beb..d2a9400d45 100644 --- 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 75b56bdbaa..43b688df54 100644 --- 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 1ff3a3cfb7..a607976942 100644 --- 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 a5e9f33662..b33b4cf338 100644 --- 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 eb3e403ec4..3185749bfc 100644 --- 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 d2fe63aa46..f2258ecbf4 100644 --- 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 0bab25b83e..0d22200922 100644 --- 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 8f08aeeb5c..57f5a21772 100644 --- 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 da06a4c0d6..50e242022f 100644 --- 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 fe549484b1..e38e5ce8dd 100644 --- 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 d21472cc81..d69c2350d0 100644 --- 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 0732716623..492025318f 100644 --- 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 7d9637b9c2..cb675bfe07 100644 --- 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 7d676edba0..1202bff8b0 100644 --- 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 9c00eb704a..7c329247d0 100644 --- 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 c010f66185..532ff54c75 100644 --- 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 23aa6ed378..4d63e2f322 100644 --- 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 999cde9ced..d588630056 100644 --- 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 3b23d4784a..df813fd2e7 100644 --- 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 d060c98cef..303e1f529b 100644 --- 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 86d90751d9..a743150246 100644 --- 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 99818fc5cd..e8f402a7b4 100644 --- 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 b387862bfe..68854bb568 100644 --- 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 516b2e8afb..703f3dde71 100644 --- 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 ded7cc83b6..dc3c782d68 100644 --- 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 5ae8e705bb..d723ea8ace 100644 --- 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 9d4383db77..c473a78bb0 100644 --- 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 b46b3ac84d..c7d60f5fa3 100644 --- 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 adbac96605..96e03a2739 100644 --- 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 ab6ecca7d6..3c2f1c0893 100644 --- 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 3fbc4884f1..8d9b89a773 100644 --- 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 5bd8c696b2..109fd0d5bf 100644 --- 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 5fc6411b0b..6ff8191c8b 100644 --- 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 09b6103caf..baaf19abca 100644 --- 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 5e5ea68601..a34e228761 100644 --- 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 bbbe4ed220..db7683699e 100644 --- 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 64dc8cfc81..3876f74830 100644 --- 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 2351f9491c..86f7a27499 100644 --- 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 5fda72098b..c69a9caea4 100644 --- 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 30e67265af..1dc9024565 100644 --- 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 92504cf9b7..a228123285 100644 --- 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 + * \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 e287e8d143..52ba3fc0df 100644 --- 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 7c2a6a5232..56f1e44ae7 100644 --- 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 49d7ef9c23..ffc0b34081 100644 --- 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 791b16808c..bec89c4b04 100644 --- 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 de50e9a147..69d71d51f8 100644 --- 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 d685fb389a..40cb3d8978 100644 --- 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 86844e2cb0..ef64e7e0b0 100644 --- 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 41295eafd8..aefe586cd7 100644 --- 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 838ee07aaf..6e0969e1c6 100644 --- 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 b681ad0f56..52604e9c0c 100644 --- 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 804221c267..d9c0de482c 100644 --- 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 e3bf4ee259..0521bdba6c 100644 --- 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 a3834564ea..bfc9f0eaa8 100644 --- 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 143052e50c..aa607fa69d 100644 --- 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 885eb5db31..33de743c76 100644 --- 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 cc002f4fba..5cf3e42984 100644 --- 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 c68b5f7468..1fa321b188 100644 --- 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 4c6207f64c..c0239f5e5c 100644 --- 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 3fbc1dc0e7..a9fbb7bfd6 100644 --- 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 8b76dff1df..f79a8b4ec2 100644 --- 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 38cbaa6d12..ca9f25d6e5 100644 --- 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 acf0a2da3b..ef045e2b37 100644 --- 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 10c8cce853..cd2b5b55d8 100644 --- 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 7ff8d6a7f1..4592c0888f 100644 --- 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 6851a41b9f..1c8a545131 100644 --- 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 7456858ce1..3d8ce55d0e 100644 --- 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 c30eefeb3b..09f6bf8838 100644 --- 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 93598b1f9d..935e5abf52 100644 --- 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 16fcfb27de..1844fe305d 100644 --- 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 c28305e3d9..af339d9eb5 100644 --- 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 6c47ff6139..92e4320554 100644 --- 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 ef6681da4f..73d27bc5e7 100644 --- 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 16618de5da..46d71ab0be 100644 --- 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 bc940bd8f0..a8b471acd2 100644 --- 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 e3ef804746..d98a3070f3 100644 --- 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 0d271ec000..f56f84ac16 100644 --- 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 3ed03df65c..c678781073 100644 --- 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 5fe162e16f..9da9e06358 100644 --- 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 6ab41b9ede..e52981e755 100644 --- 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 51a3671ae0..d2096a3a40 100644 --- 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 eb1a0dfe93..2cd9431c68 100644 --- 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 2f7261c2fa..4b2ec4f101 100644 --- 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 fee9517837..2e72c533d1 100644 --- 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 b0cacb3b39..4b8ee4d3f6 100644 --- 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 fac9718044..dc1a1b329e 100644 --- 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 ee0a23c5fe..995d645030 100644 --- 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 6719541a0b..1c208163c6 100644 --- 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 627807ba89..3cca2781e7 100644 --- 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 fa31c98673..dc1532155e 100644 --- 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 25b2560937..5f18a79d02 100644 --- 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 3429889751..156a9637bf 100644 --- 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 5953b4cbba..0aaab4dcbf 100644 --- 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 fb636bb806..4372f4eee6 100644 --- 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 a716118b71..60b4030f2d 100644 --- 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 f758f1c9ec..698900695b 100644 --- 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 369bdefac6..d6bd1c18db 100644 --- 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 5f000a5ca0..19fac05b23 100644 --- 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 d0d81bfc08..6df4d69625 100644 --- 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 3c7ee01f69..4b2b6b7582 100644 --- 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 bb0069b7c2..b9310d5381 100644 --- 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 b1a8763dc9..4946c77b66 100644 --- 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 1817c15774..6efe19d96d 100644 --- 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 5ba3421bc2..b117989e3e 100644 --- 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 7f1f2c3370..77a76c69be 100644 --- 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 2db415656d..92f4a0e6fb 100644 --- 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 9a2c8694c9..ec53a50c73 100644 --- 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 40f61aafbf..71714182b9 100644 --- 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 7f1c0178ee..bbd30f5979 100644 --- 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 b53b9a92d6..38aabeb1e4 100644 --- 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 e7e875982a..d116aacc11 100644 --- 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 c651a628de..87f945393f 100644 --- 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 6a3df8e756..c9a7da6779 100644 --- 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 846566ce99..170607e108 100644 --- 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 b8b18d758b..303c1c7fee 100644 --- 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 27bbc7a76a..4cfcdb74df 100644 --- 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 85d06fe7e1..6798cc2133 100644 --- 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 683922db9a..15c19aef02 100644 --- 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 ca04a22f79..7b943bc3d8 100644 --- 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 740daa964e..0e3204140b 100644 --- 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 dfbbedd6dd..ceeeb64967 100644 --- 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 de0d641f09..d3fc817bba 100644 --- 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 fe4c3ae1d8..8bff4e688f 100644 --- 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 f8f6fb647d..7f81b50a86 100644 --- 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 a639ba911a..2d9aa86a0a 100644 --- 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 577788998f..1816abf2d9 100644 --- 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 3a82d95e0c..f2a83db3b5 100644 --- 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 0e0223a9f1..720144261f 100644 --- 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 bbfaa18662..0fa843ae5f 100644 --- 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 22a0accf01..f2a47c6c2c 100644 --- 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 f55d76a336..2efd7e5360 100644 --- 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 18f89e1c46..954585210b 100644 --- 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 217985d56b..be3eeeba1f 100644 --- 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 6d46acff1e..c162aee5dd 100644 --- 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 47950fc86b..4e0ad9f956 100644 --- 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 + * \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 3ad2c58784..afe1cff7bc 100644 --- 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 5c6967bb65..88e6169b71 100644 --- 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 991f21692e..3be931f7d9 100644 --- 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 * * \inlibraryapi - * \ingroup __module_nbnxm + * \ingroup module_nbnxm */ diff --git a/src/gromacs/nbnxm/nbnxm_geometry.cpp b/src/gromacs/nbnxm/nbnxm_geometry.cpp index c164034c79..ff1f6ee1d1 100644 --- 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 c43e22e7ba..5c0e217ffd 100644 --- 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 f661a19ca1..ae396e9089 100644 --- 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 8c0b736083..cd13b9cc44 100644 --- 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 c2380121d4..a49596223f 100644 --- 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 4123a65e39..35d5fea8d9 100644 --- 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 * \author Teemu Virolainen * \author Szilárd Páll + * \ingroup module_nbnxm */ #include "gmxpre.h" diff --git a/src/gromacs/nbnxm/pairlist.cpp b/src/gromacs/nbnxm/pairlist.cpp index 8b55a3a9dd..4ab89bc072 100644 --- 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 19d898fcd0..6e2cf8bf55 100644 --- 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 91b4477e37..d8a8859be8 100644 --- 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 - * \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 e3af9a42fb..bde3474bc3 100644 --- a/src/gromacs/nbnxm/pairlist_tuning.h +++ b/src/gromacs/nbnxm/pairlist_tuning.h @@ -40,7 +40,7 @@ * \author Berk Hess * * \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 ca27ef5246..6deada0692 100644 --- 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 6fbe2b1792..2fad5d6f17 100644 --- a/src/gromacs/nbnxm/pairlistset.h +++ b/src/gromacs/nbnxm/pairlistset.h @@ -52,11 +52,11 @@ #include #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 77dc96e7c1..5cd0c01fe4 100644 --- a/src/gromacs/nbnxm/pairlistwork.h +++ b/src/gromacs/nbnxm/pairlistwork.h @@ -39,7 +39,7 @@ * * \author Berk Hess * - * \ingroup module_nbnxn + * \ingroup module_nbnxm */ #ifndef GMX_NBNXM_PAIRLISTWORK_H @@ -48,11 +48,11 @@ #include #include -#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 2d425de5ef..5988ccbf22 100644 --- 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 work) const diff --git a/src/gromacs/nbnxm/pairsearch.h b/src/gromacs/nbnxm/pairsearch.h index 7bf8f421a3..4258932001 100644 --- 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; -- 2.22.0