#include "gromacs/mdtypes/interaction_const.h"
#include "gpu_types.h"
+#include "locality.h"
struct nonbonded_verlet_group_t;
struct NbnxnPairlistGpu;
struct gmx_gpu_info_t;
struct gmx_device_info_t;
+namespace Nbnxm
+{
+
/** Initializes the data structures related to GPU nonbonded calculations. */
GPU_FUNC_QUALIFIER
-void nbnxn_gpu_init(gmx_nbnxn_gpu_t gmx_unused **p_nb,
- const gmx_device_info_t gmx_unused *deviceInfo,
- const interaction_const_t gmx_unused *ic,
- const NbnxnListParameters gmx_unused *listParams,
- const nbnxn_atomdata_t gmx_unused *nbat,
- int gmx_unused rank,
- /* true if both local and non-local are done on GPU */
- gmx_bool gmx_unused bLocalAndNonlocal) GPU_FUNC_TERM
+void gpu_init(gmx_nbnxn_gpu_t gmx_unused **p_nb,
+ const gmx_device_info_t gmx_unused *deviceInfo,
+ const interaction_const_t gmx_unused *ic,
+ const NbnxnListParameters gmx_unused *listParams,
+ const nbnxn_atomdata_t gmx_unused *nbat,
+ int gmx_unused rank,
+ /* true if both local and non-local are done on GPU */
+ gmx_bool gmx_unused bLocalAndNonlocal) GPU_FUNC_TERM
/** Initializes pair-list data for GPU, called at every pair search step. */
GPU_FUNC_QUALIFIER
-void nbnxn_gpu_init_pairlist(gmx_nbnxn_gpu_t gmx_unused *nb,
- const struct NbnxnPairlistGpu gmx_unused *h_nblist,
- int gmx_unused iloc) GPU_FUNC_TERM
+void gpu_init_pairlist(gmx_nbnxn_gpu_t gmx_unused *nb,
+ const struct NbnxnPairlistGpu gmx_unused *h_nblist,
+ InteractionLocality gmx_unused iloc) GPU_FUNC_TERM
/** Initializes atom-data on the GPU, called at every pair search step. */
GPU_FUNC_QUALIFIER
-void nbnxn_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_nbnxn_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.
*/
GPU_FUNC_QUALIFIER
-void nbnxn_gpu_pme_loadbal_update_param(const struct nonbonded_verlet_t gmx_unused *nbv,
- const interaction_const_t gmx_unused *ic,
- const NbnxnListParameters gmx_unused *listParams) GPU_FUNC_TERM
+void gpu_pme_loadbal_update_param(const struct nonbonded_verlet_t gmx_unused *nbv,
+ const interaction_const_t gmx_unused *ic,
+ const NbnxnListParameters gmx_unused *listParams) GPU_FUNC_TERM
/** Uploads shift vector to the GPU if the box is dynamic (otherwise just returns). */
GPU_FUNC_QUALIFIER
-void nbnxn_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_nbnxn_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 nbnxn_gpu_clear_outputs(gmx_nbnxn_gpu_t gmx_unused *nb,
- int gmx_unused flags) GPU_FUNC_TERM
+void gpu_clear_outputs(gmx_nbnxn_gpu_t gmx_unused *nb,
+ int gmx_unused flags) GPU_FUNC_TERM
/** Frees all GPU resources used for the nonbonded calculations. */
GPU_FUNC_QUALIFIER
-void nbnxn_gpu_free(gmx_nbnxn_gpu_t gmx_unused *nb) GPU_FUNC_TERM
+void gpu_free(gmx_nbnxn_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 *nbnxn_gpu_get_timings(gmx_nbnxn_gpu_t gmx_unused *nb) GPU_FUNC_TERM_WITH_RETURN(nullptr)
+struct gmx_wallclock_gpu_nbnxn_t *gpu_get_timings(gmx_nbnxn_gpu_t gmx_unused *nb) GPU_FUNC_TERM_WITH_RETURN(nullptr)
/** Resets nonbonded GPU timings. */
GPU_FUNC_QUALIFIER
-void nbnxn_gpu_reset_timings(struct nonbonded_verlet_t gmx_unused *nbv) GPU_FUNC_TERM
+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 nbnxn_gpu_min_ci_balanced(gmx_nbnxn_gpu_t gmx_unused *nb) GPU_FUNC_TERM_WITH_RETURN(-1)
+ GPU_FUNC_QUALIFIER
+int gpu_min_ci_balanced(gmx_nbnxn_gpu_t gmx_unused *nb) GPU_FUNC_TERM_WITH_RETURN(-1)
/** Returns if analytical Ewald GPU kernels are used. */
GPU_FUNC_QUALIFIER
-gmx_bool nbnxn_gpu_is_kernel_ewald_analytical(const gmx_nbnxn_gpu_t gmx_unused *nb) GPU_FUNC_TERM_WITH_RETURN(FALSE)
+gmx_bool gpu_is_kernel_ewald_analytical(const gmx_nbnxn_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 *nbnxn_gpu_get_command_stream(gmx_nbnxn_gpu_t gmx_unused *nb,
- int gmx_unused iloc) CUDA_FUNC_TERM_WITH_RETURN(nullptr)
+void *gpu_get_command_stream(gmx_nbnxn_gpu_t gmx_unused *nb,
+ 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 *nbnxn_gpu_get_xq(gmx_nbnxn_gpu_t gmx_unused *nb) CUDA_FUNC_TERM_WITH_RETURN(nullptr)
+void *gpu_get_xq(gmx_nbnxn_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 *nbnxn_gpu_get_f(gmx_nbnxn_gpu_t gmx_unused *nb) CUDA_FUNC_TERM_WITH_RETURN(nullptr)
+void *gpu_get_f(gmx_nbnxn_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 *nbnxn_gpu_get_fshift(gmx_nbnxn_gpu_t gmx_unused *nb) CUDA_FUNC_TERM_WITH_RETURN(nullptr)
+ rvec *gpu_get_fshift(gmx_nbnxn_gpu_t gmx_unused *nb) CUDA_FUNC_TERM_WITH_RETURN(nullptr)
+
+} // namespace Nbnxm
#endif
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff