Versatile configurable Couette flow test for noise-filtered multi-instance Nie coupling. More...

#include <CouetteScenario.h>

Inheritance diagram for CouetteScenario:

Collaboration diagram for CouetteScenario:

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Classes
struct	CouplingBuffer
	holds the buffers for the data transfer More...

struct	TimingValues
	holds all the variables for the time measurement of a simulation More...

Public Member Functions
	CouetteScenario ()
	simple constructor

virtual	~CouetteScenario ()
	a dummy destructor

void	run () override
	runs the simulation

void	init () override
	initialises everthing necessary for the test

void	runOneCouplingCycle (int cycle) override
	combines the functioniality necessary for a cycle of the coupled simulation

coupling::solvers::AbstractCouetteSolver< 3 > *	getSolver () override

Public Member Functions inherited from Scenario
	Scenario (std::string scenarioname)

const coupling::services::ParallelTimeIntegrationService< 3 > *	getTimeIntegrationService () const

Protected Member Functions
void	getRootRank ()
	initialises all MPI variables

void	twsLoop ()
	Executes the entire test several times for a range of time-window-size parameters.

void	parseConfigurations ()
	reads the configuration from the xml file and calls parseCouetteScenarioConfiguration()

void	initSolvers ()
	initialises the macro and micro solver according to the setup from the xml file and pre-proccses them

void	advanceMacro (int cycle)
	advances the continuum solver and collects data to send to md (fillSendBuffer())

void	varyMD (int cycle)

void	advanceMicro (int cycle)
	advances the md solver for one coupling time step and collect the data for the coupling

void	computeSNR (int cycle)
	used to compute signal-to-noise ratio, stores values in _sum_noise and _sum_signal

void	twoWayCoupling (int cycle)
	sets up the boundaries in the macro solver for the coupling and applies the values from the md in the macro solver

void	shutdown ()
	finalize the time measurement, and cleans up at the end of the simulation

tarch::la::Vector< 3, unsigned int >	getGlobalNumberCouplingCells (const simplemd::configurations::MolecularDynamicsConfiguration &simpleMDConfig, const coupling::configurations::MaMiCoConfiguration< 3 > &mamicoConfig) const

void	allocateMacro2mdBuffer (coupling::interface::MacroscopicSolverInterface< 3 > &msi)
	allocates the send buffer (with values for all coupling cells).

void	allocateMd2macroBuffer (coupling::interface::MacroscopicSolverInterface< 3 > &msi)

template<class Container_T>
void	write2CSV (Container_T &md2macroBuffer, int couplingCycle) const
	write coupling cells that have been received from MD to csv file

void	fillSendBuffer (const double density, const coupling::solvers::AbstractCouetteSolver< 3 > &couetteSolver, coupling::datastructures::FlexibleCellContainer< 3 > &macro2MDBuffer) const
	fills send buffer with data from macro/continuum solver

coupling::solvers::AbstractCouetteSolver< 3 > *	getCouetteSolver (const double dx, const double dt)

coupling::interface::MacroscopicSolverInterface< 3 > *	getCouetteSolverInterface (const double dx, tarch::la::Vector< 3, double > mdOffset, tarch::la::Vector< 3, double > mamicoMeshsize, tarch::la::Vector< 3, unsigned int > globalNumberCouplingCells, unsigned int outerRegion)

Protected Attributes
int	_rank
	the rank of the current MPI process in the local time domain

bool	_isRootRank
	if this is the world global root process

int	_tws

simplemd::configurations::MolecularDynamicsConfiguration	_simpleMDConfig
	the config data and information for SimpleMD

coupling::configurations::MaMiCoConfiguration< 3 >	_mamicoConfig
	the config data and information for MaMiCo

coupling::configurations::CouetteConfig	_cfg
	the CouetteConfig for the current setup

unsigned int	_mdStepCounter
	the counter for the time steps, which are done within the md

coupling::solvers::AbstractCouetteSolver< 3 > *	_couetteSolver
	the current macro/continuum solver

tarch::utils::MultiMDService< 3 > *	_multiMDService

coupling::services::MultiMDCellService< MY_LINKEDCELL, 3 > *	_multiMDCellService

CouplingBuffer	_couplingBuffer
	the current buffer for the coupling

std::vector< coupling::interface::MDSolverInterface< MY_LINKEDCELL, 3 > * >	_mdSolverInterface
	the interface to the md solver

coupling::InstanceHandling< MY_LINKEDCELL, 3 > *	_instanceHandling

std::default_random_engine	_generator

double	_sum_signal

double	_sum_noise

TimingValues	_tv
	a instance of the timingValues

coupling::MultiMDMediator< MY_LINKEDCELL, 3 > *	_multiMDMediator

Protected Attributes inherited from Scenario
std::unique_ptr< coupling::services::ParallelTimeIntegrationService< 3 > >	_timeIntegrationService

Detailed Description

Versatile configurable Couette flow test for noise-filtered multi-instance Nie coupling.

Features, depending on couette.xml config file: -> one-way or two-way coupling -> statup or oscillating flow scenario -> using analytical or Lattice Bolzmann Couette flow solver -> using (multi-instance) SimpleMD or synthetic MD data (with Gaussian noise) -> CSV output option for filtered data -> ability to delay scenario startup or two-way coupling for filter initialisation time -> signal-to-noise ratio (SNR) computation (between filter output and macroscopic solver) -> runtime measurements and logging separately for coupled simulation components -> 'tws-loop' feature for testing many POD time-window-size parameters in a single run -> dynamic multi-instance MD, adapt number of MD instances according to defined error

Author: Piet Jarmatz

Member Function Documentation

◆ advanceMacro()

void CouetteScenario::advanceMacro ( int cycle )

inlineprotected

advances the continuum solver and collects data to send to md (fillSendBuffer())

Parameters

cycle the number of the current coupling time step

◆ advanceMicro()

void CouetteScenario::advanceMicro ( int cycle )

inlineprotected

advances the md solver for one coupling time step and collect the data for the coupling

Parameters

cycle the number of the current coupling time step

◆ allocateMacro2mdBuffer()

void CouetteScenario::allocateMacro2mdBuffer ( coupling::interface::MacroscopicSolverInterface< 3 > & msi )

inlineprotected

allocates the send buffer (with values for all coupling cells).

Parameters

msi	macroscopic solver interface for the continuum solver

◆ allocateMd2macroBuffer()

void CouetteScenario::allocateMd2macroBuffer ( coupling::interface::MacroscopicSolverInterface< 3 > & msi )

inlineprotected

allocates the recv-buffer. This buffer contains all global inner coupling cells, but only on rank 0. On all other ranks, no cells are stored and a NULL ptr is returned

◆ computeSNR()

void CouetteScenario::computeSNR ( int cycle )

inlineprotected

used to compute signal-to-noise ratio, stores values in _sum_noise and _sum_signal

todo@ use more cells

◆ fillSendBuffer()

void CouetteScenario::fillSendBuffer	(	const double	density,
		const coupling::solvers::AbstractCouetteSolver< 3 > &	couetteSolver,
		coupling::datastructures::FlexibleCellContainer< 3 > &	macro2MDBuffer ) const

inlineprotected

fills send buffer with data from macro/continuum solver

Parameters

density	the general density of the fluid
couetteSolver	the continuum solver
macro2MDBuffer	the bufffer to send data from macro to micro
globalCellIndices4SendBuffer	the global linearized indices of the coupling cells in the buffer

◆ getCouetteSolver()

coupling::solvers::AbstractCouetteSolver< 3 > * CouetteScenario::getCouetteSolver	(	const double	dx,
		const double	dt )

inlineprotected

Returns: the correct macro/continuum solver for the given setup

Parameters

dx	the grid size (equidistant mesh)
dt	the time step

◆ getCouetteSolverInterface()

coupling::interface::MacroscopicSolverInterface< 3 > * CouetteScenario::getCouetteSolverInterface	(	const double	dx,
		tarch::la::Vector< 3, double >	mdOffset,
		tarch::la::Vector< 3, double >	mamicoMeshsize,
		tarch::la::Vector< 3, unsigned int >	globalNumberCouplingCells,
		unsigned int	outerRegion )

inlineprotected

Returns: the interface for the macro/continuum solver

Parameters

couetteSolver	the macro/continuum solver
mdOffset	the offset of the md domain from (0.0.0)
mamicoMeshsize
globalNumberCouplingCells	the total number coupling cells for the whole domain
outerRegion

Todo: piet, what is the mamicoMeshsize & the outer layer

◆ getGlobalNumberCouplingCells()

tarch::la::Vector< 3, unsigned int > CouetteScenario::getGlobalNumberCouplingCells	(	const simplemd::configurations::MolecularDynamicsConfiguration &	simpleMDConfig,
		const coupling::configurations::MaMiCoConfiguration< 3 > &	mamicoConfig ) const

inlineprotected

computes global number of coupling cells from configs. Required by couette solver interface before CouplingCellService is initialised!

◆ getSolver()

coupling::solvers::AbstractCouetteSolver< 3 > * CouetteScenario::getSolver ( )

inlineoverridevirtual

Implements Scenario.

◆ init()

void CouetteScenario::init ( )

inlineoverridevirtual

initialises everthing necessary for the test

triggers initMPI(), parseConfiguration(), and initSolvers()

Implements Scenario.

◆ run()

void CouetteScenario::run ( )

inlineoverridevirtual

runs the simulation

triggers void init(), runOneCouplingCycle() and shutdown()

Implements Scenario.

◆ runOneCouplingCycle()

void CouetteScenario::runOneCouplingCycle ( int cycle )

inlineoverridevirtual

combines the functioniality necessary for a cycle of the coupled simulation

it advances the macro (advanceMacro()) and micro solver (advanceMicro), computes the signal to noise ratio (computeSNR()) and sends the data from the macro to the micro solver (twoWayCoupling())

Implements Scenario.

◆ twoWayCoupling()

void CouetteScenario::twoWayCoupling ( int cycle )

inlineprotected

sets up the boundaries in the macro solver for the coupling and applies the values from the md in the macro solver

Parameters

cycle current time step of the coupled simulation

◆ write2CSV()

template<class Container_T>

void CouetteScenario::write2CSV	(	Container_T &	md2macroBuffer,
		int	couplingCycle ) const

inlineprotected

write coupling cells that have been received from MD to csv file

Parameters

recvBuffer	the buffer for the data, which comes from md
recvIndices	the indices for the macr cells in the buffer
couplingCycle	the current number of coupling cycle

Member Data Documentation

◆ _generator

std::default_random_engine CouetteScenario::_generator

protected

Todo: piet

◆ _multiMDCellService

coupling::services::MultiMDCellService<MY_LINKEDCELL, 3>* CouetteScenario::_multiMDCellService

protected

Todo: piet

◆ _multiMDService

tarch::utils::MultiMDService<3>* CouetteScenario::_multiMDService

protected

Todo: piet

◆ _sum_noise

double CouetteScenario::_sum_noise

protected

Todo: piet

◆ _sum_signal

double CouetteScenario::_sum_signal

protected

Todo: piet

◆ _tws

int CouetteScenario::_tws

protected

Todo: Piet

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

coupling/scenario/CouetteScenario.h

Classes

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Member Function Documentation

◆ advanceMacro()

◆ advanceMicro()

◆ allocateMacro2mdBuffer()

◆ allocateMd2macroBuffer()

◆ computeSNR()

◆ fillSendBuffer()

◆ getCouetteSolver()

◆ getCouetteSolverInterface()

◆ getGlobalNumberCouplingCells()

◆ getSolver()

◆ init()

◆ run()

◆ runOneCouplingCycle()

◆ twoWayCoupling()

◆ write2CSV()

Member Data Documentation

◆ _generator

◆ _multiMDCellService

◆ _multiMDService

◆ _sum_noise

◆ _sum_signal

◆ _tws