MCMoveCpuTime Struct Reference

Stores CPU timing statistics for various Monte Carlo moves. More...

Collaboration diagram for MCMoveCpuTime:

Public Member Functions
	MCMoveCpuTime ()
	Default constructor.
std::chrono::duration< double >	total () const
	Calculates the total CPU time spent on all recorded Monte Carlo moves.
void	clearTimingStatistics ()
	Resets all timing statistics to zero.
const std::string	writeMCMoveCPUTimeStatistics () const
	Writes the CPU time statistics to a string.
const std::string	writeMCMoveCPUTimeStatistics (std::size_t componentId, const std::string &componentName) const
	Writes the CPU time statistics for a specific component.
const std::string	writeMCMoveCPUTimeStatistics (std::chrono::duration< double > total) const
	Writes the overall CPU time statistics.
const nlohmann::json	jsonSystemMCMoveCPUTimeStatistics () const
	Returns the system-level CPU time statistics in JSON format.
const nlohmann::json	jsonComponentMCMoveCPUTimeStatistics () const
	Returns the component-level CPU time statistics in JSON format.
const nlohmann::json	jsonOverallMCMoveCPUTimeStatistics (std::chrono::duration< double > total) const
	Returns the overall CPU time statistics in JSON format.
	MCMoveCpuTime (const MCMoveCpuTime &)=default
std::map< std::string, std::chrono::duration< double > > &	operator[] (const MoveTypes &move)
MCMoveCpuTime &	operator= (const MCMoveCpuTime &b)
MCMoveCpuTime &	operator+= (const MCMoveCpuTime &b)

Public Attributes
std::uint64_t	versionNumber {2}
	Version number for serialization purposes.
std::map< MoveTypes, std::map< std::string, std::chrono::duration< double > > >	timingMap
std::chrono::duration< double >	propertySampling {0.0}
	Time spent on property sampling.
std::chrono::duration< double >	energyPressureComputation {0.0}
	Time spent on energy and pressure computations.
std::chrono::duration< double >	pressureFrameworkTime {0.0}
	Time spent on energy and pressure computations.
std::chrono::duration< double >	pressureIntermolecularTime {0.0}
	Time spent on energy and pressure computations.
std::chrono::duration< double >	pressureEwaldTime {0.0}
	Time spent on energy and pressure computations.
std::chrono::duration< double >	pressureTailTime {0.0}
	Time spent on energy and pressure computations.
std::chrono::duration< double >	pressureRestTime {0.0}
	Time spent on energy and pressure computations.

Friends
Archive< std::ofstream > &	operator<< (Archive< std::ofstream > &archive, const MCMoveCpuTime &t)
Archive< std::ifstream > &	operator>> (Archive< std::ifstream > &archive, MCMoveCpuTime &t)

Detailed Description

Stores CPU timing statistics for various Monte Carlo moves.

The MCMoveCpuTime struct accumulates the duration of different Monte Carlo moves and their components in a simulation. It provides methods to reset the timings, write the timing statistics to strings, and output them in JSON format.

Constructor & Destructor Documentation

MCMoveCpuTime()

MCMoveCpuTime::MCMoveCpuTime

(

)

Default constructor.

Initializes all timing statistics to zero.

Member Function Documentation

jsonComponentMCMoveCPUTimeStatistics()

const nlohmann::json MCMoveCpuTime::jsonComponentMCMoveCPUTimeStatistics

(

)

const

Returns the component-level CPU time statistics in JSON format.

Returns

A JSON object containing the component-level timing statistics.

jsonOverallMCMoveCPUTimeStatistics()

const nlohmann::json MCMoveCpuTime::jsonOverallMCMoveCPUTimeStatistics

(

std::chrono::duration< double >

total

)

const

Returns the overall CPU time statistics in JSON format.

Parameters

total

The total simulation time.

Returns

A JSON object containing the overall timing statistics.

jsonSystemMCMoveCPUTimeStatistics()

const nlohmann::json MCMoveCpuTime::jsonSystemMCMoveCPUTimeStatistics

(

)

const

Returns the system-level CPU time statistics in JSON format.

Returns

A JSON object containing the system-level timing statistics.

total()

std::chrono::duration< double > MCMoveCpuTime::total ( ) const

inline

Calculates the total CPU time spent on all recorded Monte Carlo moves.

Returns

The total duration of all moves.

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writeMCMoveCPUTimeStatistics() [1/3]

const std::string MCMoveCpuTime::writeMCMoveCPUTimeStatistics

(

)

const

Writes the CPU time statistics to a string.

Returns

A string containing the timing statistics.

writeMCMoveCPUTimeStatistics() [2/3]

const std::string MCMoveCpuTime::writeMCMoveCPUTimeStatistics

(

std::chrono::duration< double >

total

)

const

Writes the overall CPU time statistics.

Parameters

total

The total simulation time.

Returns

A string containing the overall timing statistics.

writeMCMoveCPUTimeStatistics() [3/3]

const std::string MCMoveCpuTime::writeMCMoveCPUTimeStatistics	(	std::size_t	componentId,
		const std::string &	componentName
	)		const

Writes the CPU time statistics for a specific component.

Parameters

componentId	The identifier of the component.
componentName	The name of the component.

Returns

A string containing the timing statistics for the component.

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

• src/raspakit/mc_moves/cputime.ixx