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gpu_data_mgmt.h File Reference
#include <memory>
#include "gromacs/gpu_utils/gpu_macros.h"
#include "gromacs/mdtypes/locality.h"
#include "nbnxm.h"
+ Include dependency graph for gpu_data_mgmt.h:
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Declare interface for GPU data transfer for NBNXN module.

Szilard Pall
Mark Abraham


NbnxmGpuNbnxm::gpu_init (const gmx::DeviceStreamManager gmx_unused &deviceStreamManager, const interaction_const_t gmx_unused *ic, const PairlistParams gmx_unused &listParams, const nbnxn_atomdata_t gmx_unused *nbat, bool gmx_unused bLocalAndNonlocal)
 Initializes the data structures related to GPU nonbonded calculations. More...
void Nbnxm::gpu_init_pairlist (NbnxmGpu gmx_unused *nb, const struct NbnxnPairlistGpu gmx_unused *h_nblist, gmx::InteractionLocality gmx_unused iloc)
 Initializes pair-list data for GPU, called at every pair search step. More...
void Nbnxm::gpu_init_atomdata (NbnxmGpu gmx_unused *nb, const nbnxn_atomdata_t gmx_unused *nbat)
 Initializes atom-data on the GPU, called at every pair search step. More...
void Nbnxm::gpu_pme_loadbal_update_param (struct nonbonded_verlet_t gmx_unused *nbv, const interaction_const_t gmx_unused &ic)
 Re-generate the GPU Ewald force table, resets rlist, and update the electrostatic type switching to twin cut-off (or back) if needed.
void Nbnxm::gpu_upload_shiftvec (NbnxmGpu gmx_unused *nb, const nbnxn_atomdata_t gmx_unused *nbatom)
 Uploads shift vector to the GPU if the box is dynamic (otherwise just returns). More...
void Nbnxm::gpu_clear_outputs (NbnxmGpu gmx_unused *nb, bool gmx_unused computeVirial)
 Clears GPU outputs: nonbonded force, shift force and energy. More...
void Nbnxm::gpu_free (NbnxmGpu gmx_unused *nb)
 Frees all GPU resources used for the nonbonded calculations. More...
struct gmx_wallclock_gpu_nbnxn_tNbnxm::gpu_get_timings (NbnxmGpu gmx_unused *nb)
 Returns the GPU timings structure or NULL if GPU is not used or timing is off. More...
void Nbnxm::gpu_reset_timings (struct nonbonded_verlet_t gmx_unused *nbv)
 Resets nonbonded GPU timings. More...
int Nbnxm::gpu_min_ci_balanced (NbnxmGpu gmx_unused *nb)
 Calculates the minimum size of proximity lists to improve SM load balance with GPU non-bonded kernels. More...
bool Nbnxm::gpu_is_kernel_ewald_analytical (const NbnxmGpu gmx_unused *nb)
 Returns if analytical Ewald GPU kernels are used. More...
NBAtomDataGpuNbnxm::gpuGetNBAtomData (NbnxmGpu gmx_unused *nb)
 Returns an opaque pointer to the GPU NBNXM atom data.
DeviceBuffer< gmx::RVecNbnxm::gpu_get_f (NbnxmGpu gmx_unused *nb)
 Returns forces device buffer.