Gromacs
2021.4
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#include "gmxpre.h"
#include "config.h"
#include "nbnxm_gpu_data_mgmt.h"
#include "gromacs/hardware/device_information.h"
#include "gromacs/nbnxm/gpu_data_mgmt.h"
#include "gromacs/timing/gpu_timing.h"
#include "gromacs/utility/cstringutil.h"
#include "nbnxm_gpu.h"
#include "pairlistsets.h"
Define common implementation of nbnxm_gpu_data_mgmt.h.
Functions | |
void | Nbnxm::init_ewald_coulomb_force_table (const EwaldCorrectionTables &tables, NBParamGpu *nbp, const DeviceContext &deviceContext) |
Tabulates the Ewald Coulomb force and initializes the size/scale and the table GPU array. More... | |
void | Nbnxm::printEnvironmentVariableDeprecationMessage (bool isEnvironmentVariableSet, const std::string &environmentVariableSuffix) |
int | Nbnxm::nbnxn_gpu_pick_ewald_kernel_type (const interaction_const_t &ic, const DeviceInformation &deviceInfo) |
void | Nbnxm::set_cutoff_parameters (NBParamGpu *nbp, const interaction_const_t *ic, const PairlistParams &listParams) |
Copies all parameters related to the cut-off from ic to nbp. | |
void | Nbnxm::gpu_pme_loadbal_update_param (const nonbonded_verlet_t *nbv, const interaction_const_t *ic) |
void | Nbnxm::init_plist (gpu_plist *pl) |
Initializes the pair list data structure. | |
void | Nbnxm::init_timings (gmx_wallclock_gpu_nbnxn_t *t) |
Initializes the timings data structure. | |
void | Nbnxm::gpu_init_pairlist (NbnxmGpu *nb, const NbnxnPairlistGpu *h_plist, const InteractionLocality iloc) |
This function is documented in the header file. | |
struct gmx_wallclock_gpu_nbnxn_t * | Nbnxm::gpu_get_timings (NbnxmGpu *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 *nbv) |
Resets nonbonded GPU timings. More... | |
bool | Nbnxm::gpu_is_kernel_ewald_analytical (const NbnxmGpu *nb) |
Returns if analytical Ewald GPU kernels are used. More... | |