Gromacs
2022.2
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#include "gmxpre.h"
#include "decidesimulationworkload.h"
#include "gromacs/ewald/pme.h"
#include "gromacs/mdtypes/multipletimestepping.h"
#include "gromacs/taskassignment/decidegpuusage.h"
#include "gromacs/taskassignment/taskassignment.h"
#include "gromacs/utility/arrayref.h"
Defines routine for building simulation workload task description.
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... | |