bench_setup.cpp File Reference

#include "gmxpre.h"
#include "bench_setup.h"
#include <cmath>
#include <cstdint>
#include <cstdio>
#include <algorithm>
#include <filesystem>
#include <memory>
#include <optional>
#include <utility>
#include <vector>
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/math/units.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdlib/dispersioncorrection.h"
#include "gromacs/mdlib/force_flags.h"
#include "gromacs/mdlib/forcerec.h"
#include "gromacs/mdlib/gmx_omp_nthreads.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/mdtypes/forcerec.h"
#include "gromacs/mdtypes/interaction_const.h"
#include "gromacs/mdtypes/locality.h"
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/mdtypes/simulation_workload.h"
#include "gromacs/nbnxm/atomdata.h"
#include "gromacs/nbnxm/nbnxm.h"
#include "gromacs/nbnxm/nbnxm_simd.h"
#include "gromacs/nbnxm/pairlistparams.h"
#include "gromacs/nbnxm/pairlistset.h"
#include "gromacs/nbnxm/pairlistsets.h"
#include "gromacs/nbnxm/pairsearch.h"
#include "gromacs/pbcutil/ishift.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/simd/simd.h"
#include "gromacs/timing/cyclecounter.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/logger.h"
#include "gromacs/utility/range.h"
#include "bench_system.h"

Include dependency graph for bench_setup.cpp:

Description

This file defines functions for setting up kernel benchmarks.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Functions
static std::optional< std::string >	gmx::checkKernelSetup (const NbnxmKernelBenchOptions &options)
	Checks the kernel setup. More...
static NbnxmKernelType	gmx::translateBenchmarkEnum (const NbnxmBenchMarkKernels &kernel)
	Helper to translate between the different enumeration values.
static NbnxmKernelSetup	gmx::getKernelSetup (const NbnxmKernelBenchOptions &options)
	Returns the kernel setup.
static interaction_const_t	gmx::setupInteractionConst (const NbnxmKernelBenchOptions &options)
	Return an interaction constants struct with members used in the benchmark set appropriately.
static LJCombinationRule	gmx::convertLJCombinationRule (const NbnxmBenchMarkCombRule combRule)
	Converts the benchmark LJ comb.rule. enum to the corresponding NBNxM enum.
static std::unique_ptr < nonbonded_verlet_t >	gmx::setupNbnxmForBenchInstance (const NbnxmKernelBenchOptions &options, const BenchmarkSystem &system)
	Sets up and returns a Nbnxm object for the given benchmark options and system.
static void	gmx::expandSimdOptionAndPushBack (const NbnxmKernelBenchOptions &options, std::vector< NbnxmKernelBenchOptions > *optionsList)
	Add the options instance to the list for all requested kernel SIMD types.
static void	gmx::setupAndRunInstance (const BenchmarkSystem &system, const NbnxmKernelBenchOptions &options, const bool doWarmup)
	Sets up and runs the requested benchmark instance and prints the results.
void	gmx::bench (int sizeFactor, const NbnxmKernelBenchOptions &options)
	Sets up and runs one or more Nbnxm kernel benchmarks. More...