Gromacs
2022.2
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#include <vector>
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/simulation_workload.h"
Declares routine for deciding simulation workload based on GPU tasks.
Functions | |
SimulationWorkload | gmx::createSimulationWorkload (const t_inputrec &inputrec, bool disableNonbondedCalculation, const DevelopmentFeatureFlags &devFlags, bool havePpDomainDecomposition, bool haveSeparatePmeRank, bool useGpuForNonbonded, PmeRunMode pmeRunMode, bool useGpuForBonded, bool useGpuForUpdate, bool useGpuDirectHalo, bool canUseDirectGpuComm, bool useGpuPmeDecomposition) |
Build datastructure that contains decisions whether to run different workload task on GPUs. More... | |