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Gromacs
2024.4
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#include "gmxpre.h"#include "gromacs/taskassignment/decidegpuusage.h"#include "config.h"#include <cstdlib>#include <cstring>#include <algorithm>#include <string>#include "gromacs/ewald/pme.h"#include "gromacs/hardware/cpuinfo.h"#include "gromacs/hardware/detecthardware.h"#include "gromacs/hardware/hardwaretopology.h"#include "gromacs/hardware/hw_info.h"#include "gromacs/listed_forces/listed_forces_gpu.h"#include "gromacs/mdlib/constr.h"#include "gromacs/mdlib/gmx_omp_nthreads.h"#include "gromacs/mdlib/update_constrain_gpu.h"#include "gromacs/mdtypes/commrec.h"#include "gromacs/mdtypes/inputrec.h"#include "gromacs/mdtypes/md_enums.h"#include "gromacs/mdtypes/mdrunoptions.h"#include "gromacs/pulling/pull.h"#include "gromacs/taskassignment/taskassignment.h"#include "gromacs/topology/mtop_util.h"#include "gromacs/topology/topology.h"#include "gromacs/utility/baseversion.h"#include "gromacs/utility/exceptions.h"#include "gromacs/utility/fatalerror.h"#include "gromacs/utility/gmxassert.h"#include "gromacs/utility/logger.h"#include "gromacs/utility/message_string_collector.h"#include "gromacs/utility/stringutil.h"
Include dependency graph for decidegpuusage.cpp:Defines functionality for deciding whether tasks will run on GPUs.
Functions | |
| bool | gmx::decideWhetherToUseGpusForNonbondedWithThreadMpi (TaskTarget nonbondedTarget, bool haveAvailableDevices, const std::vector< int > &userGpuTaskAssignment, EmulateGpuNonbonded emulateGpuNonbonded, bool buildSupportsNonbondedOnGpu, bool nonbondedOnGpuIsUseful, bool binaryReproducibilityRequested, int numRanksPerSimulation) |
| Decide whether this thread-MPI simulation will run nonbonded tasks on GPUs. More... | |
| static bool | gmx::decideWhetherToUseGpusForPmeFft (const TaskTarget pmeFftTarget) |
| static bool | gmx::canUseGpusForPme (const bool useGpuForNonbonded, const TaskTarget pmeTarget, const TaskTarget pmeFftTarget, const t_inputrec &inputrec, std::string *errorMessage) |
| bool | gmx::decideWhetherToUseGpusForPmeWithThreadMpi (bool useGpuForNonbonded, TaskTarget pmeTarget, TaskTarget pmeFftTarget, int numDevicesToUse, const std::vector< int > &userGpuTaskAssignment, const t_inputrec &inputrec, int numRanksPerSimulation, int numPmeRanksPerSimulation) |
| Decide whether this thread-MPI simulation will run PME tasks on GPUs. More... | |
| bool | gmx::decideWhetherToUseGpusForNonbonded (TaskTarget nonbondedTarget, const std::vector< int > &userGpuTaskAssignment, EmulateGpuNonbonded emulateGpuNonbonded, bool buildSupportsNonbondedOnGpu, bool nonbondedOnGpuIsUseful, bool binaryReproducibilityRequested, bool gpusWereDetected) |
| Decide whether the simulation will try to run nonbonded tasks on GPUs. More... | |
| bool | gmx::decideWhetherToUseGpusForPme (bool useGpuForNonbonded, TaskTarget pmeTarget, TaskTarget pmeFftTarget, const std::vector< int > &userGpuTaskAssignment, const t_inputrec &inputrec, int numRanksPerSimulation, int numPmeRanksPerSimulation, bool gpusWereDetected) |
| Decide whether the simulation will try to run tasks of different types on GPUs. More... | |
| PmeRunMode | gmx::determinePmeRunMode (bool useGpuForPme, const TaskTarget &pmeFftTarget, const t_inputrec &inputrec) |
| Determine PME run mode. More... | |
| bool | gmx::decideWhetherToUseGpusForBonded (bool useGpuForNonbonded, bool useGpuForPme, TaskTarget bondedTarget, const t_inputrec &inputrec, const gmx_mtop_t &mtop, int numPmeRanksPerSimulation, bool gpusWereDetected) |
| Decide whether the simulation will try to run bonded tasks on GPUs. More... | |
| bool | gmx::decideWhetherToUseGpuForUpdate (bool isDomainDecomposition, bool useUpdateGroups, PmeRunMode pmeRunMode, bool havePmeOnlyRank, bool useGpuForNonbonded, TaskTarget updateTarget, bool gpusWereDetected, const t_inputrec &inputrec, const gmx_mtop_t &mtop, bool useEssentialDynamics, bool doOrientationRestraints, bool haveFrozenAtoms, bool useModularSimulator, bool doRerun, const gmx::MDLogger &mdlog) |
| Decide whether to use GPU for update. More... | |
| bool | gmx::decideWhetherDirectGpuCommunicationCanBeUsed (const DevelopmentFeatureFlags &devFlags, bool haveMts, bool haveSwapCoords, const gmx::MDLogger &mdlog) |
| Decide whether direct GPU communication can be used. More... | |
| bool | gmx::decideWhetherToUseGpuForHalo (bool havePPDomainDecomposition, bool useGpuForNonbonded, bool canUseDirectGpuComm, bool useModularSimulator, bool doRerun, bool haveEnergyMinimization, const gmx::MDLogger &mdlog) |
| Decide whether to use GPU for halo exchange. More... | |
Variables | |
| const char *const | gmx::anonymous_namespace{decidegpuusage.cpp}::g_specifyEverythingFormatString |
| Helper variable to localise the text of an often repeated message. More... | |
| constexpr bool | gmx::c_gpuBuildSyclWithoutGpuFft |
1.8.5