Make nbnxm headers more self-contained

[alexxy/gromacs.git] / src / gromacs / nbnxm / gpu_data_mgmt.h

diff --git a/src/gromacs/nbnxm/gpu_data_mgmt.h b/src/gromacs/nbnxm/gpu_data_mgmt.h
index c93c536becb1f31795b498fb283e984f6bafa4ba..2f504e91f8d261abcd28e6c247c99301b05c2b68 100644 (file)
--- a/src/gromacs/nbnxm/gpu_data_mgmt.h
+++ b/src/gromacs/nbnxm/gpu_data_mgmt.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2014,2015,2017,2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2017,2018,2019,2020, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -50,21 +50,20 @@
 #include "gromacs/mdtypes/interaction_const.h"
 #include "gromacs/mdtypes/locality.h"
 
-#include "gpu_types.h"
-
-struct NbnxnPairlistGpu;
-struct nbnxn_atomdata_t;
-struct PairlistParams;
-struct gmx_wallclock_gpu_nbnxn_t;
+struct gmx_nbnxm_gpu_t;
 struct gmx_gpu_info_t;
 struct gmx_device_info_t;
+struct gmx_wallclock_gpu_nbnxn_t;
+struct nbnxn_atomdata_t;
+struct NbnxnPairlistGpu;
+struct PairlistParams;
 
 namespace Nbnxm
 {
 
 /** Initializes the data structures related to GPU nonbonded calculations. */
 GPU_FUNC_QUALIFIER
-gmx_nbnxn_gpu_t* gpu_init(const gmx_device_info_t gmx_unused* deviceInfo,
+gmx_nbnxm_gpu_t* gpu_init(const gmx_device_info_t gmx_unused* deviceInfo,
                           const interaction_const_t gmx_unused* ic,
                           const PairlistParams gmx_unused& listParams,
                           const nbnxn_atomdata_t gmx_unused* nbat,
@@ -74,13 +73,13 @@ gmx_nbnxn_gpu_t* gpu_init(const gmx_device_info_t gmx_unused* deviceInfo,
 
 /** Initializes pair-list data for GPU, called at every pair search step. */
 GPU_FUNC_QUALIFIER
-void gpu_init_pairlist(gmx_nbnxn_gpu_t gmx_unused*   nb,
+void gpu_init_pairlist(gmx_nbnxm_gpu_t gmx_unused*   nb,
                        const struct NbnxnPairlistGpu gmx_unused* h_nblist,
                        gmx::InteractionLocality gmx_unused iloc) GPU_FUNC_TERM;
 
 /** Initializes atom-data on the GPU, called at every pair search step. */
 GPU_FUNC_QUALIFIER
-void gpu_init_atomdata(gmx_nbnxn_gpu_t gmx_unused* nb, const nbnxn_atomdata_t gmx_unused* nbat) GPU_FUNC_TERM;
+void gpu_init_atomdata(gmx_nbnxm_gpu_t gmx_unused* nb, const nbnxn_atomdata_t gmx_unused* nbat) GPU_FUNC_TERM;
 
 /*! \brief Re-generate the GPU Ewald force table, resets rlist, and update the
  *  electrostatic type switching to twin cut-off (or back) if needed.
@@ -91,19 +90,19 @@ void gpu_pme_loadbal_update_param(const struct nonbonded_verlet_t gmx_unused* nb
 
 /** Uploads shift vector to the GPU if the box is dynamic (otherwise just returns). */
 GPU_FUNC_QUALIFIER
-void gpu_upload_shiftvec(gmx_nbnxn_gpu_t gmx_unused* nb, const nbnxn_atomdata_t gmx_unused* nbatom) GPU_FUNC_TERM;
+void gpu_upload_shiftvec(gmx_nbnxm_gpu_t gmx_unused* nb, const nbnxn_atomdata_t gmx_unused* nbatom) GPU_FUNC_TERM;
 
 /** Clears GPU outputs: nonbonded force, shift force and energy. */
 GPU_FUNC_QUALIFIER
-void gpu_clear_outputs(gmx_nbnxn_gpu_t gmx_unused* nb, bool gmx_unused computeVirial) GPU_FUNC_TERM;
+void gpu_clear_outputs(gmx_nbnxm_gpu_t gmx_unused* nb, bool gmx_unused computeVirial) GPU_FUNC_TERM;
 
 /** Frees all GPU resources used for the nonbonded calculations. */
 GPU_FUNC_QUALIFIER
-void gpu_free(gmx_nbnxn_gpu_t gmx_unused* nb) GPU_FUNC_TERM;
+void gpu_free(gmx_nbnxm_gpu_t gmx_unused* nb) GPU_FUNC_TERM;
 
 /** Returns the GPU timings structure or NULL if GPU is not used or timing is off. */
 GPU_FUNC_QUALIFIER
-struct gmx_wallclock_gpu_nbnxn_t* gpu_get_timings(gmx_nbnxn_gpu_t gmx_unused* nb)
+struct gmx_wallclock_gpu_nbnxn_t* gpu_get_timings(gmx_nbnxm_gpu_t gmx_unused* nb)
         GPU_FUNC_TERM_WITH_RETURN(nullptr);
 
 /** Resets nonbonded GPU timings. */
@@ -113,37 +112,37 @@ void gpu_reset_timings(struct nonbonded_verlet_t gmx_unused* nbv) GPU_FUNC_TERM;
 /** Calculates the minimum size of proximity lists to improve SM load balance
  *  with GPU non-bonded kernels. */
 GPU_FUNC_QUALIFIER
-int gpu_min_ci_balanced(gmx_nbnxn_gpu_t gmx_unused* nb) GPU_FUNC_TERM_WITH_RETURN(-1);
+int gpu_min_ci_balanced(gmx_nbnxm_gpu_t gmx_unused* nb) GPU_FUNC_TERM_WITH_RETURN(-1);
 
 /** Returns if analytical Ewald GPU kernels are used. */
 GPU_FUNC_QUALIFIER
-gmx_bool gpu_is_kernel_ewald_analytical(const gmx_nbnxn_gpu_t gmx_unused* nb)
+gmx_bool gpu_is_kernel_ewald_analytical(const gmx_nbnxm_gpu_t gmx_unused* nb)
         GPU_FUNC_TERM_WITH_RETURN(FALSE);
 
 /** Returns an opaque pointer to the GPU command stream
  *  Note: CUDA only.
  */
 CUDA_FUNC_QUALIFIER
-void* gpu_get_command_stream(gmx_nbnxn_gpu_t gmx_unused* nb, gmx::InteractionLocality gmx_unused iloc)
+void* gpu_get_command_stream(gmx_nbnxm_gpu_t gmx_unused* nb, gmx::InteractionLocality gmx_unused iloc)
         CUDA_FUNC_TERM_WITH_RETURN(nullptr);
 
 /** Returns an opaque pointer to the GPU coordinate+charge array
  *  Note: CUDA only.
  */
 CUDA_FUNC_QUALIFIER
-void* gpu_get_xq(gmx_nbnxn_gpu_t gmx_unused* nb) CUDA_FUNC_TERM_WITH_RETURN(nullptr);
+void* gpu_get_xq(gmx_nbnxm_gpu_t gmx_unused* nb) CUDA_FUNC_TERM_WITH_RETURN(nullptr);
 
 /** Returns an opaque pointer to the GPU force array
  *  Note: CUDA only.
  */
 CUDA_FUNC_QUALIFIER
-void* gpu_get_f(gmx_nbnxn_gpu_t gmx_unused* nb) CUDA_FUNC_TERM_WITH_RETURN(nullptr);
+void* gpu_get_f(gmx_nbnxm_gpu_t gmx_unused* nb) CUDA_FUNC_TERM_WITH_RETURN(nullptr);
 
 /** Returns an opaque pointer to the GPU shift force array
  *  Note: CUDA only.
  */
 CUDA_FUNC_QUALIFIER
-rvec* gpu_get_fshift(gmx_nbnxn_gpu_t gmx_unused* nb) CUDA_FUNC_TERM_WITH_RETURN(nullptr);
+rvec* gpu_get_fshift(gmx_nbnxm_gpu_t gmx_unused* nb) CUDA_FUNC_TERM_WITH_RETURN(nullptr);
 
 } // namespace Nbnxm