tuning.hpp File Reference

#include "system/System.hpp"
#include <stdexcept>
#include <string>

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Classes
class	TuningFailed

Functions
double	benchmark_integration_step (System::System &system, int int_steps)
	Benchmark the integration loop.

Function Documentation

benchmark_integration_step()

double benchmark_integration_step	(	System::System &	system,
		int	int_steps
	)

Benchmark the integration loop.

Call System::System::integrate() several times and measure the elapsed time without propagating the system. It therefore doesn't include e.g. Verlet list updates.

Parameters

system	The system to tune.
int_steps	Number of integration steps.

Returns

Average time per integration loop in milliseconds.

Definition at line 75 of file tuning.cpp.

References Utils::Statistics::RunningAverage< Scalar >::add_sample(), Utils::Statistics::RunningAverage< Scalar >::avg(), check_statistics(), comm_cart, INTEG_REUSE_FORCES_CONDITIONALLY, INTEG_REUSE_FORCES_NEVER, run_full_force_calc(), and this_node.

Referenced by TuningAlgorithm::get_mc_time(), and CoulombMMM1D::tune().