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	start_time_stamp_per_thread
	Seconds since the epoch recorded at the start of the simulation for this thread.
double	elapsed_time
	Total seconds elapsed over the simulation.
double	elapsed_time_over_all_threads
	Total seconds elapsed over the simulation running this thread.
int	numOpenMPThreads
	Number of OpenMP threads that will be launched by this MPI rank. More...
gmx_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.

---

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

• src/gromacs/timing/walltime_accounting.cpp