Gromacs  2020.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Member Functions
gmx::StopConditionTime Class Referencefinal

#include <gromacs/mdlib/stophandler.h>

Description

Class setting the stop signal based on maximal run time.

Master rank sets the stop signal if run time exceeds maximal run time.

Public Member Functions

 StopConditionTime (int nstList, real maximumHoursToRun, int nstSignalComm)
 StopConditionTime constructor.
 
StopSignal getSignal (bool bNS, int64_t step, FILE *fplog, gmx_walltime_accounting *walltime_accounting)
 Decides whether a stopping signal needs to be set. More...
 

Member Function Documentation

StopSignal gmx::StopConditionTime::getSignal ( bool  bNS,
int64_t  step,
FILE *  fplog,
gmx_walltime_accounting *  walltime_accounting 
)

Decides whether a stopping signal needs to be set.

Stop signal is set if run time is greater than 99% of maximal run time. Signal will trigger stopping of the simulation at the next neighbor-searching step.


The documentation for this class was generated from the following files: