Gromacs
2025.0-dev-20241102-0112628
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#include <tuple>
#include "gromacs/mdrunutility/logging.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/gmxmpi.h"
This file declares functions for mdrun to call to manage the details of doing a restart (ie. reading checkpoints, appending output files).
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 isSimulationMain, 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... | |