/** 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,
- const interaction_const_t gmx_unused *ic,
- const PairlistParams 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_WITH_RETURN(nullptr);
+gmx_nbnxn_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,
+ int gmx_unused rank,
+ /* true if both local and non-local are done on GPU */
+ gmx_bool gmx_unused bLocalAndNonlocal) GPU_FUNC_TERM_WITH_RETURN(nullptr);
/** 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,
- const struct NbnxnPairlistGpu gmx_unused *h_nblist,
- gmx::InteractionLocality gmx_unused iloc) GPU_FUNC_TERM;
+void gpu_init_pairlist(gmx_nbnxn_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_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 gpu_pme_loadbal_update_param(const struct nonbonded_verlet_t gmx_unused *nbv,
- const interaction_const_t gmx_unused *ic) GPU_FUNC_TERM;
+void gpu_pme_loadbal_update_param(const struct nonbonded_verlet_t gmx_unused* nbv,
+ const interaction_const_t gmx_unused* ic) GPU_FUNC_TERM;
/** 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_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 gpu_clear_outputs(gmx_nbnxn_gpu_t gmx_unused *nb,
- bool gmx_unused computeVirial) GPU_FUNC_TERM;
+void gpu_clear_outputs(gmx_nbnxn_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_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 *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 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 gpu_min_ci_balanced(gmx_nbnxn_gpu_t gmx_unused *nb) GPU_FUNC_TERM_WITH_RETURN(-1);
+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 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 *gpu_get_command_stream(gmx_nbnxn_gpu_t gmx_unused *nb,
- gmx::InteractionLocality gmx_unused iloc) CUDA_FUNC_TERM_WITH_RETURN(nullptr);
+void* gpu_get_command_stream(gmx_nbnxn_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_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 *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 *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
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff