DescentEngineHandle Class Reference

Inheritance diagram for DescentEngineHandle:

Collaboration diagram for DescentEngineHandle:

Public Member Functions
	DescentEngineHandle (DescentEngine &engine)
const std::vector< FullPrecValue > &	getVector () const
void	prepareSampling (int num_params, int num_samples) override
	Function for preparing derivative ratio vectors used by optimizer engines. More...
void	takeSample (const std::vector< FullPrecReal > &energy_list, const RecordArray< Value > &dlogpsi_array, const RecordArray< Value > &dhpsioverpsi_array, int base_sample_index) override
	Function for passing derivative ratios to optimizer engines. More...
void	finishSampling () override
	Function for having optimizer engines execute their sample_finish functions. More...
Public Member Functions inherited from EngineHandle
virtual	~EngineHandle ()=default

Private Attributes
DescentEngine &	engine_
std::vector< FullPrecValue >	der_rat_samp
std::vector< FullPrecValue >	le_der_samp

Additional Inherited Members
Public Types inherited from EngineHandle
using	Real = QMCTraits::RealType
using	Value = QMCTraits::ValueType
using	FullPrecReal = QMCTraits::FullPrecRealType
using	FullPrecValue = QMCTraits::FullPrecValueType

Detailed Description

Definition at line 72 of file EngineHandle.h.

Constructor & Destructor Documentation

DescentEngineHandle()

DescentEngineHandle ( DescentEngine &  engine )

inline

Definition at line 80 of file EngineHandle.h.

: engine_(engine) {}

Member Function Documentation

finishSampling()

void finishSampling ( )

inlineoverridevirtual

Function for having optimizer engines execute their sample_finish functions.

Implements EngineHandle.

Definition at line 118 of file EngineHandle.h.

References DescentEngineHandle::engine_, and DescentEngine::sample_finish().

{ engine_.sample_finish(); }

getVector()

const std::vector<FullPrecValue>& getVector ( ) const

inline

Definition at line 83 of file EngineHandle.h.

References DescentEngineHandle::der_rat_samp.

{ return der_rat_samp; }

prepareSampling()

void prepareSampling ( int  num_params, int  num_samples  )

inlineoverridevirtual

Function for preparing derivative ratio vectors used by optimizer engines.

Parameters

[in]

num_params

Number of optimizable parameters

Implements EngineHandle.

Definition at line 85 of file EngineHandle.h.

References DescentEngineHandle::der_rat_samp, DescentEngineHandle::engine_, DescentEngineHandle::le_der_samp, omp_get_max_threads(), and DescentEngine::prepareStorage().

  {
    //FIXME it should respect num_samples and avoid relying on threads.
    engine_.prepareStorage(omp_get_max_threads(), num_params);

    der_rat_samp.resize(num_params + 1, 0.0);
    le_der_samp.resize(num_params + 1, 0.0);
  }

takeSample()

void takeSample ( const std::vector< FullPrecReal > &  energy_list, const RecordArray< Value > &  dlogpsi_array, const RecordArray< Value > &  dhpsioverpsi_array, int  base_sample_index  )

inlineoverridevirtual

Function for passing derivative ratios to optimizer engines.

Parameters

[in]	energy_list	Vector of local energy values
[in]	dlogpsi_array	Parameter derivatives of log psi
[in]	dhpsioverpsi_array	Parameter derivatives of local energy
[in]	local_index	Crowd local index
[in]	sample_index	Index of sample on a MPI rank

Implements EngineHandle.

Definition at line 94 of file EngineHandle.h.

References DescentEngineHandle::der_rat_samp, DescentEngineHandle::engine_, RecordArray< T >::getNumOfEntries(), DescentEngineHandle::le_der_samp, omp_get_thread_num(), and DescentEngine::takeSample().

  {
    const int current_batch_size = dlogpsi_array.getNumOfEntries();
    for (int local_index = 0; local_index < current_batch_size; local_index++)
    {
      der_rat_samp[0] = 1.0;
      le_der_samp[0]  = energy_list[local_index];

      int num_params = der_rat_samp.size() - 1;
      for (int j = 0; j < num_params; j++)
      {
        der_rat_samp[j + 1] = static_cast<FullPrecValue>(dlogpsi_array[local_index][j]);
        le_der_samp[j + 1]  = static_cast<FullPrecValue>(dhpsioverpsi_array[local_index][j]) +
            le_der_samp[0] * static_cast<FullPrecValue>(dlogpsi_array[local_index][j]);
      }
      //FIXME it should respect base_sample_index and avoid relying on threads.
      int ip = omp_get_thread_num();
      engine_.takeSample(ip, der_rat_samp, le_der_samp, le_der_samp, 1.0, 1.0);
    }
  }

Member Data Documentation

der_rat_samp

std::vector<FullPrecValue> der_rat_samp

private

Definition at line 76 of file EngineHandle.h.

Referenced by DescentEngineHandle::getVector(), DescentEngineHandle::prepareSampling(), and DescentEngineHandle::takeSample().

engine_

DescentEngine& engine_

private

Definition at line 75 of file EngineHandle.h.

Referenced by DescentEngineHandle::finishSampling(), DescentEngineHandle::prepareSampling(), and DescentEngineHandle::takeSample().

le_der_samp

std::vector<FullPrecValue> le_der_samp

private

Definition at line 77 of file EngineHandle.h.

Referenced by DescentEngineHandle::prepareSampling(), and DescentEngineHandle::takeSample().

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCDrivers/WFOpt/EngineHandle.h