gmx::anonymous_namespace{handlerestart.cpp}::StartingBehaviorHandler Class Reference

Description

Describes how mdrun will (re)start and provides supporting functionality based on that data.

Public Member Functions
void	ensureMultiSimBehaviorsMatch (const gmx_multisim_t *ms)
	Throw unless all simulations in a multi-sim restart the same way. More...
std::optional< int >	makeIndexOfNextPart (AppendingBehavior appendingBehavior) const
	Return an optional value that describes the index of the next simulation part when not appending. More...

Public Attributes
StartingBehavior	startingBehavior = StartingBehavior::NewSimulation
	Describes how mdrun will (re)start.
std::optional < CheckpointHeaderContents >	headerContents
	When restarting from a checkpoint, contains the contents of its header.
std::optional< std::vector < gmx_file_position_t > >	outputFiles
	When restarting from a checkpoint, contains the names of expected output files.

Member Function Documentation

void gmx::anonymous_namespace{handlerestart.cpp}::StartingBehaviorHandler::ensureMultiSimBehaviorsMatch

(

const gmx_multisim_t *

ms

)

Throw unless all simulations in a multi-sim restart the same way.

The restart could differ if checkpoint or other output files are not found in a consistent way across the set of multi-simulations, or are from different simulation parts.

Parameters

[in]

ms

Multi-sim handler.

May only be called from the main rank of each simulation.

Exceptions

InconsistentInputError

if either simulations restart differently, or from checkpoints from different simulation parts.

std::optional< int > gmx::anonymous_namespace{handlerestart.cpp}::StartingBehaviorHandler::makeIndexOfNextPart

(

AppendingBehavior

appendingBehavior

)

const

Return an optional value that describes the index of the next simulation part when not appending.

Parameters

[in]

appendingBehavior

Whether this simulation is appending (relevant only when restarting)

Does not throw

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

• src/gromacs/mdrunutility/handlerestart.cpp