Gromacs
2022.2
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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. | |
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.