handlerestart.h File Reference

#include "gromacs/mdrunutility/logging.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/gmxmpi.h"

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Description

This file declares functions for mdrun to call to manage the details of doing a restart (ie. reading checkpoints, appending output files).

Todo:

There may be other code in runner.cpp etc. that can usefully live here

Author

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

Erik Lindahl erik@.nosp@m.kth..nosp@m.se

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Enumerations
enum	gmx::StartingBehavior : int { gmx::StartingBehavior::RestartWithAppending, gmx::StartingBehavior::RestartWithoutAppending, gmx::StartingBehavior::NewSimulation, gmx::StartingBehavior::Count }
	Enumeration for describing how mdrun is (re)starting. More...

Functions
std::tuple< StartingBehavior, LogFilePtr >	gmx::handleRestart (bool isSimulationMaster, MPI_Comm communicator, const gmx_multisim_t *ms, AppendingBehavior appendingBehavior, int nfile, t_filenm fnm[])
	Handle startup of mdrun, particularly regarding -cpi and -append. More...