EstimatorManagerCrowd Class Reference

Thread local estimator container/accumulator. More...

Collaboration diagram for EstimatorManagerCrowd:

Public Types
using	MCPWalker = Walker< QMCTraits, PtclOnLatticeTraits >
using	RealType = EstimatorManagerNew::RealType
using	FullPrecRealType = EstimatorManagerNew::FullPrecRealType

Public Member Functions
	EstimatorManagerCrowd (EstimatorManagerNew &em)
	EstimatorManagerCrowd are always spawn of an EstimatorManagerNew. More...
	~EstimatorManagerCrowd ()
	destructor More...
int	size () const
	return the number of ScalarEstimators More...
void	startBlock (int steps)
	start a block More...
void	stopBlock ()
void	accumulate (const RefVector< MCPWalker > &walkers, const RefVector< ParticleSet > &psets, const RefVector< TrialWaveFunction > &wfns, const RefVector< QMCHamiltonian > &hams, RandomBase< FullPrecRealType > &rng)
	Accumulate over all scalar estimators and operator estimators over all walkers in crowd. More...
ScalarEstimatorBase &	get_main_estimator ()
RefVector< ScalarEstimatorBase >	get_scalar_estimators ()
RefVector< qmcplusplus::OperatorEstBase >	get_operator_estimators ()
RealType	get_block_num_samples () const
RealType	get_block_weight () const
void	registerListeners (const RefVectorWithLeader< QMCHamiltonian > &ham_list)
	This registers the crowd lever estimators that require listeners into the QMCHamiltonianMultiWalkerResources We really only need a QMCHamiltonian leader but resource acquisition and release works better this way. More...

Private Attributes
RealType	block_num_samples_
	number of samples accumulated in a block More...
RealType	block_weight_
	total weight accumulated in a block More...
UPtr< ScalarEstimatorBase >	main_estimator_
UPtrVector< ScalarEstimatorBase >	scalar_estimators_
	estimators of simple scalars More...
UPtrVector< OperatorEstBase >	operator_ests_

Detailed Description

Thread local estimator container/accumulator.

Stepping away from the CloneManger + clones design which creates EstimatorManagers Which operate differently based on internal switches.

see EstimatorManagerNew.h for full description of the new design.

Definition at line 38 of file EstimatorManagerCrowd.h.

Member Typedef Documentation

FullPrecRealType

using FullPrecRealType = EstimatorManagerNew::FullPrecRealType

Definition at line 43 of file EstimatorManagerCrowd.h.

MCPWalker

using MCPWalker = Walker<QMCTraits, PtclOnLatticeTraits>

Definition at line 41 of file EstimatorManagerCrowd.h.

RealType

using RealType = EstimatorManagerNew::RealType

Definition at line 42 of file EstimatorManagerCrowd.h.

Constructor & Destructor Documentation

EstimatorManagerCrowd()

EstimatorManagerCrowd

(

EstimatorManagerNew &

em

)

EstimatorManagerCrowd are always spawn of an EstimatorManagerNew.

Definition at line 16 of file EstimatorManagerCrowd.cpp.

References EstimatorManagerCrowd::main_estimator_, EstimatorManagerNew::main_estimator_, EstimatorManagerCrowd::operator_ests_, EstimatorManagerNew::operator_ests_, EstimatorManagerCrowd::scalar_estimators_, and EstimatorManagerNew::scalar_ests_.

{
  main_estimator_ = UPtr<ScalarEstimatorBase>(em.main_estimator_->clone());
  for (const auto& est : em.scalar_ests_)
    scalar_estimators_.emplace_back(est->clone());
  for (const auto& upeb : em.operator_ests_)
    operator_ests_.emplace_back(upeb->spawnCrowdClone());
}

~EstimatorManagerCrowd()

~EstimatorManagerCrowd ( )

inline

destructor

Definition at line 50 of file EstimatorManagerCrowd.h.

{};

Member Function Documentation

accumulate()

void accumulate	(	const RefVector< MCPWalker > &	walkers,
		const RefVector< ParticleSet > &	psets,
		const RefVector< TrialWaveFunction > &	wfns,
		const RefVector< QMCHamiltonian > &	hams,
		RandomBase< FullPrecRealType > &	rng
	)

Accumulate over all scalar estimators and operator estimators over all walkers in crowd.

Not all estimators make use of all these arguments

Parameters

[in]	walkers	walkers in crowd
[in]	psets	walker particle sets
[in]	wfns	walker wavefunctions
[in]	hams	walker Hamiltonians
[in,out]	rng	crowd scope RandomGenerator

walkers is especially questionable since its really just hiding the full sweep hamiltonian values from the most recent (maybe) QMCHamiltonian evaluate which are written into it by the QMCHamiltonians previous to the accumulate. walkers might additionally be useful because they hold another copy of the dynamic (electron) particle sets coords that could be inconsistent with psets.

As soon as the legacy Estimators are dropped this API should be reviewed with an eye to disentangling ParticleSet, Walker, and QMCHamiltonian.

Definition at line 25 of file EstimatorManagerCrowd.cpp.

References EstimatorManagerCrowd::block_num_samples_, EstimatorManagerCrowd::block_weight_, EstimatorManagerCrowd::main_estimator_, EstimatorManagerCrowd::operator_ests_, EstimatorManagerCrowd::scalar_estimators_, and qmcplusplus::hdf::walkers.

Referenced by Crowd::accumulate(), and qmcplusplus::TEST_CASE().

{
  block_num_samples_ += walkers.size();
  for (MCPWalker& awalker : walkers)
    block_weight_ += awalker.Weight;
  main_estimator_->accumulate(walkers);
  int num_scalar_estimators = scalar_estimators_.size();
  for (int i = 0; i < num_scalar_estimators; ++i)
    scalar_estimators_[i]->accumulate(walkers);
  for (int i = 0; i < operator_ests_.size(); ++i)
    operator_ests_[i]->accumulate(walkers, psets, wfns, hams, rng);
}

get_block_num_samples()

RealType get_block_num_samples ( ) const

inline

Definition at line 89 of file EstimatorManagerCrowd.h.

References EstimatorManagerCrowd::block_num_samples_.

{ return block_num_samples_; }

get_block_weight()

RealType get_block_weight ( ) const

inline

Definition at line 90 of file EstimatorManagerCrowd.h.

References EstimatorManagerCrowd::block_weight_.

{ return block_weight_; }

get_main_estimator()

ScalarEstimatorBase& get_main_estimator ( )

inline

Definition at line 85 of file EstimatorManagerCrowd.h.

References EstimatorManagerCrowd::main_estimator_.

{ return *main_estimator_; }

get_operator_estimators()

RefVector<qmcplusplus::OperatorEstBase> get_operator_estimators ( )

inline

Definition at line 87 of file EstimatorManagerCrowd.h.

References qmcplusplus::convertUPtrToRefVector(), and EstimatorManagerCrowd::operator_ests_.

{ return convertUPtrToRefVector(operator_ests_); }

get_scalar_estimators()

RefVector<ScalarEstimatorBase> get_scalar_estimators ( )

inline

Definition at line 86 of file EstimatorManagerCrowd.h.

References qmcplusplus::convertUPtrToRefVector(), and EstimatorManagerCrowd::scalar_estimators_.

{ return convertUPtrToRefVector(scalar_estimators_); }

registerListeners()

void registerListeners

(

const RefVectorWithLeader< QMCHamiltonian > &

ham_list

)

This registers the crowd lever estimators that require listeners into the QMCHamiltonianMultiWalkerResources We really only need a QMCHamiltonian leader but resource acquisition and release works better this way.

Definition at line 42 of file EstimatorManagerCrowd.cpp.

References RefVectorWithLeader< T >::getLeader(), and EstimatorManagerCrowd::operator_ests_.

Referenced by Crowd::Crowd(), and qmcplusplus::TEST_CASE().

{
  for (auto& estimator : operator_ests_)
    if (estimator->isListenerRequired())
      estimator->registerListeners(ham_list.getLeader());
}

size()

int size ( void  ) const

inline

return the number of ScalarEstimators

Definition at line 53 of file EstimatorManagerCrowd.h.

References EstimatorManagerCrowd::scalar_estimators_.

{ return scalar_estimators_.size(); }

startBlock()

void startBlock

(

int

steps

)

start a block

Parameters

steps

number of steps in a block

Definition at line 49 of file EstimatorManagerCrowd.cpp.

References EstimatorManagerCrowd::block_num_samples_, EstimatorManagerCrowd::block_weight_, and EstimatorManagerCrowd::operator_ests_.

Referenced by Crowd::startBlock().

{
  for (auto& uope : operator_ests_)
    uope->startBlock(steps);
  block_num_samples_ = 0.0;
  block_weight_      = 0.0;
}

stopBlock()

void stopBlock

(

)

Definition at line 57 of file EstimatorManagerCrowd.cpp.

Referenced by Crowd::stopBlock().

{
  // the main estimator does more here.
}

Member Data Documentation

block_num_samples_

RealType block_num_samples_

private

number of samples accumulated in a block

Definition at line 99 of file EstimatorManagerCrowd.h.

Referenced by EstimatorManagerCrowd::accumulate(), EstimatorManagerCrowd::get_block_num_samples(), and EstimatorManagerCrowd::startBlock().

block_weight_

RealType block_weight_

private

total weight accumulated in a block

Definition at line 101 of file EstimatorManagerCrowd.h.

Referenced by EstimatorManagerCrowd::accumulate(), EstimatorManagerCrowd::get_block_weight(), and EstimatorManagerCrowd::startBlock().

main_estimator_

UPtr<ScalarEstimatorBase> main_estimator_

private

Definition at line 103 of file EstimatorManagerCrowd.h.

Referenced by EstimatorManagerCrowd::accumulate(), EstimatorManagerCrowd::EstimatorManagerCrowd(), and EstimatorManagerCrowd::get_main_estimator().

operator_ests_

UPtrVector<OperatorEstBase> operator_ests_

private

Definition at line 107 of file EstimatorManagerCrowd.h.

Referenced by EstimatorManagerCrowd::accumulate(), EstimatorManagerCrowd::EstimatorManagerCrowd(), EstimatorManagerCrowd::get_operator_estimators(), EstimatorManagerCrowd::registerListeners(), and EstimatorManagerCrowd::startBlock().

scalar_estimators_

UPtrVector<ScalarEstimatorBase> scalar_estimators_

private

estimators of simple scalars

Definition at line 105 of file EstimatorManagerCrowd.h.

Referenced by EstimatorManagerCrowd::accumulate(), EstimatorManagerCrowd::EstimatorManagerCrowd(), EstimatorManagerCrowd::get_scalar_estimators(), and EstimatorManagerCrowd::size().

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Estimators/EstimatorManagerCrowd.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Estimators/EstimatorManagerCrowd.cpp