gmx_walltime_accounting Struct Reference

Description

Manages caching wall-clock time measurements for simulations.

Public Attributes
double	start_time_stamp
	Seconds since the epoch recorded at the start of the simulation.
double	reset_time_stamp
	Seconds since the epoch recorded at the reset of counters for the simulation (or the start, if no reset has occured).
double	reset_time_stamp_per_thread
	Seconds since the epoch recorded at the reset of counters for the simulation for this thread (or the start, if no reset has occured).
double	elapsed_time
	Total seconds elapsed over the simulation since counter reset.
double	elapsed_time_over_all_threads
	Total seconds elapsed over the simulation since counter reset running this thread.
int	numOpenMPThreads
	Number of OpenMP threads that will be launched by this MPI rank. More...
int64_t	nsteps_done_at_reset
	Numbers of steps done before reset of counters.
int64_t	nsteps_done
	Set by integrators to report the amount of work they did.
bool	isValidFinish
	Whether the simulation has finished in a way valid for walltime reporting.

Member Data Documentation

int gmx_walltime_accounting::numOpenMPThreads

Number of OpenMP threads that will be launched by this MPI rank.

This is used to scale elapsed_time_over_all_threads so that any combination of real MPI, thread MPI and OpenMP (even mdrun -ntomp_pme) processes/threads would (when run at maximum efficiency) return values such that the sum of elapsed_time_over_all_threads over all threads was constant with respect to parallelism implementation.

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The documentation for this struct was generated from the following file:

• src/gromacs/timing/walltime_accounting.cpp