WalkerLogBuffer< T > Class Template Reference

Data buffer for walker log quantities. More...

Inheritance diagram for WalkerLogBuffer< T >:

Collaboration diagram for WalkerLogBuffer< T >:

Public Member Functions
	WalkerLogBuffer ()
size_t	nrows ()
	current number of rows in the data buffer More...
size_t	ncols ()
	current number of columns in the data buffer (row size) More...
void	resetBuffer ()
	resize the buffer to zero More...
void	resetCollect ()
	reset member variables at end of each WalkerLogCollector::collect() call More...
bool	sameAs (const WalkerLogBuffer< T > &ref)
	compare row size of this buffer to another one More...
void	collect (const std::string &name, const T &value)
	collect data for a single walker quantity of scalar type into the current buffer row More...
template<unsigned D>
void	collect (const std::string &name, Array< T, D > arr)
	collect data for a single walker quantity of array type into the current buffer row More...
template<unsigned D>
void	collect (const std::string &name, Array< std::complex< T >, D > arr)
	collect data for a single walker quantity of complex array type into the current buffer row More...
void	addRow (WalkerLogBuffer< T > other, size_t i)
	add a data row from another buffer to this one More...
void	writeSummary (std::string pad=" ")
	write a summary of quantities in the buffer More...
void	registerHDFData (hdf_archive &f)
	write the data_layout for all walker quantities in the HDF file More...
void	writeHDF (hdf_archive &f)
	write the buffer data into the HDF file More...
void	writeHDF (hdf_archive &f, hsize_t &file_pointer)
	write the buffer data into the HDF file More...

Public Attributes
std::string	label
	label for this data in HDF file More...
bool	first_collect
	marks first WalkerLogCollector::collect() call More...
hsize_t	hdf_file_pointer
	HDF file pointer. More...

Private Member Functions
void	resetRowSize (size_t row_size)
	make space as quantities are added to the buffer for the first time More...
void	makeNewRow ()
	allocate a full new row at the end of the buffer More...

Private Attributes
size_t	quantity_index
	index of current quantity during WalkerLogCollector::collect() More...
std::vector< WalkerQuantityInfo >	quantity_info
	buffer row location data for each walker quantity used to populate "data_layout" field in HDF file More...
size_t	walker_data_size
	total size of walker data stored in a buffer row More...
Array< T, 2 >	buffer
	the walker data buffer itself More...

Detailed Description

template<typename T>
class qmcplusplus::WalkerLogBuffer< T >

Data buffer for walker log quantities.

Each row in the buffer contains all quantities for one walker from a single step. Rows are added throughout an MC block. See WalkerLogCollector::collect()

Buffer data is written to HDF at the end of each MC block. See WalkerLogManager::writeBuffers()

Definition at line 111 of file WalkerLogBuffer.h.

Constructor & Destructor Documentation

WalkerLogBuffer()

WalkerLogBuffer ( )

inline

Definition at line 134 of file WalkerLogBuffer.h.

  {
    label            = "?";
    first_collect    = true;
    walker_data_size = 0;
    quantity_index   = 0;
    resetBuffer();
  }

Member Function Documentation

addRow()

void addRow ( WalkerLogBuffer< T >  other, size_t  i  )

inline

add a data row from another buffer to this one

Definition at line 272 of file WalkerLogBuffer.h.

Referenced by WalkerLogManager::writeBuffers().

  {
    auto& other_buffer = other.buffer;
    if (first_collect)
    {
      resetRowSize(other_buffer.size(1));
      quantity_info = other.quantity_info;
      first_collect = false;
    }
    else
    {
      if (buffer.size(1) != other_buffer.size(1))
        throw std::runtime_error("WalkerLogBuffer::add_row  Row sizes must match.");
      makeNewRow();
    }
    size_t ib = buffer.size(0) - 1;
    for (size_t j = 0; j < buffer.size(1); ++j)
      buffer(ib, j) = other_buffer(i, j);
  }

collect() [1/3]

void collect ( const std::string &  name, const T &  value  )

inline

collect data for a single walker quantity of scalar type into the current buffer row

Definition at line 166 of file WalkerLogBuffer.h.

  {
    size_t irow = 0;
    if (first_collect)
    { // cache walker quantity info on first collect
      WalkerQuantityInfo wqi_(name, 1, walker_data_size);
      quantity_info.push_back(wqi_);
      walker_data_size = wqi_.buffer_end;
      resetRowSize(walker_data_size);
    }
    else
    { // make a new buffer row if needed
      if (quantity_index == 0)
        makeNewRow();
      irow = buffer.size(0) - 1;
    }
    // place the scalar walker quantity into the current buffer row
    auto& wqi                      = quantity_info[quantity_index];
    buffer(irow, wqi.buffer_start) = value;
    quantity_index++;
  }

collect() [2/3]

void collect ( const std::string &  name, Array< T, D >  arr  )

inline

collect data for a single walker quantity of array type into the current buffer row

Definition at line 191 of file WalkerLogBuffer.h.

  {
    size_t n1 = arr.size(0);
    size_t n2, n3, n4;
    n2 = n3 = n4 = 0;
    if (D > 4)
      throw std::runtime_error("WalkerLogBuffer::collect  Only arrays up to dimension 4 are currently supported.");
    if (D > 1)
      n2 = arr.size(1);
    if (D > 2)
      n3 = arr.size(2);
    if (D > 3)
      n4 = arr.size(3);
    size_t irow = 0;
    if (first_collect)
    { // cache walker quantity info on first collect
      WalkerQuantityInfo wqi_(name, 1, walker_data_size, n1, n2, n3, n4);
      quantity_info.push_back(wqi_);
      walker_data_size = wqi_.buffer_end;
      resetRowSize(walker_data_size);
    }
    else
    { // make a new buffer row if needed
      if (quantity_index == 0)
        makeNewRow();
      irow = buffer.size(0) - 1;
    }
    // place the array walker quantity into the current buffer row
    auto& wqi   = quantity_info[quantity_index];
    auto& arr1d = arr.storage();
    for (size_t n = 0; n < arr1d.size(); ++n)
      buffer(irow, wqi.buffer_start + n) = arr1d[n];
    quantity_index++;
  }

collect() [3/3]

void collect ( const std::string &  name, Array< std::complex< T >, D >  arr  )

inline

collect data for a single walker quantity of complex array type into the current buffer row

Definition at line 229 of file WalkerLogBuffer.h.

  {
    size_t n1 = arr.size(0);
    size_t n2, n3, n4;
    n2 = n3 = n4 = 0;
    if (D > 4)
      throw std::runtime_error("WalkerLogBuffer::collect  Only arrays up to dimension 4 are currently supported.");
    if (D > 1)
      n2 = arr.size(1);
    if (D > 2)
      n3 = arr.size(2);
    if (D > 3)
      n4 = arr.size(3);
    size_t irow = 0;
    if (first_collect)
    { // cache walker quantity info on first collect
      WalkerQuantityInfo wqi_(name, 2, walker_data_size, n1, n2, n3, n4);
      quantity_info.push_back(wqi_);
      walker_data_size = wqi_.buffer_end;
      resetRowSize(walker_data_size);
    }
    else
    { // make a new buffer row if needed
      if (quantity_index == 0)
        makeNewRow();
      irow = buffer.size(0) - 1;
    }
    // place the complex array walker quantity into the current buffer row
    auto& wqi   = quantity_info[quantity_index];
    auto& arr1d = arr.storage();
    size_t n    = 0;
    for (size_t i = 0; i < arr1d.size(); ++i)
    {
      buffer(irow, wqi.buffer_start + n) = std::real(arr1d[i]);
      ++n;
      buffer(irow, wqi.buffer_start + n) = std::imag(arr1d[i]);
      ++n;
    }
    quantity_index++;
  }

makeNewRow()

void makeNewRow ( )

inlineprivate

allocate a full new row at the end of the buffer

Definition at line 379 of file WalkerLogBuffer.h.

Referenced by WalkerLogBuffer< WLog::Real >::addRow(), and WalkerLogBuffer< WLog::Real >::collect().

  {
    size_t nrows    = buffer.size(0);
    size_t row_size = buffer.size(1);
    if (row_size == 0)
      throw std::runtime_error("WalkerLogBuffer::makeNewRow  Cannot make a new row of size zero.");
    nrows++;
    // resizing buffer(type Array) doesn't preserve data. Thus keep old data and copy over
    auto buffer_old(buffer);
    buffer.resize(nrows, row_size);
    std::copy_n(buffer_old.data(), buffer_old.size(), buffer.data());
  }

ncols()

size_t ncols ( )

inline

current number of columns in the data buffer (row size)

Definition at line 147 of file WalkerLogBuffer.h.

{ return buffer.size(1); }

nrows()

size_t nrows ( )

inline

current number of rows in the data buffer

Definition at line 144 of file WalkerLogBuffer.h.

Referenced by WalkerLogCollector::checkBuffers(), WalkerLogBuffer< WLog::Real >::makeNewRow(), and WalkerLogBuffer< WLog::Real >::resetRowSize().

{ return buffer.size(0); }

registerHDFData()

void registerHDFData ( hdf_archive &  f )

inline

write the data_layout for all walker quantities in the HDF file

Definition at line 312 of file WalkerLogBuffer.h.

Referenced by WalkerLogManager::writeBuffersHDF().

  {
    auto& top = label;
    f.push(top);
    f.push("data_layout");
    for (auto& wqi : quantity_info)
    {
      f.push(wqi.name);
      f.write(wqi.dimension, "dimension");
      f.write(wqi.shape, "shape");
      f.write(wqi.size, "size");
      f.write(wqi.unit_size, "unit_size");
      f.write(wqi.buffer_start, "index_start");
      f.write(wqi.buffer_end, "index_end");
      f.pop();
    }
    f.pop();
    f.pop();
    if (!f.open_groups())
      throw std::runtime_error("WalkerLogBuffer(" + label +
                               ")::register_hdf_data() some hdf groups are still open at the end of registration");
    hdf_file_pointer = 0;
  }

resetBuffer()

void resetBuffer ( )

inline

resize the buffer to zero

Definition at line 150 of file WalkerLogBuffer.h.

Referenced by WalkerLogCollector::resetBuffers(), WalkerLogBuffer< WLog::Real >::WalkerLogBuffer(), and WalkerLogManager::writeBuffers().

{ buffer.resize(0, buffer.size(1)); }

resetCollect()

void resetCollect ( )

inline

reset member variables at end of each WalkerLogCollector::collect() call

Definition at line 153 of file WalkerLogBuffer.h.

  {
    if (quantity_index != quantity_info.size())
      throw std::runtime_error(
          "WalkerLogBuffer quantity_index has not been moved through all quantities prior during collect() call.");
    first_collect  = false;
    quantity_index = 0;
  }

resetRowSize()

void resetRowSize ( size_t  row_size )

inlineprivate

make space as quantities are added to the buffer for the first time

Definition at line 359 of file WalkerLogBuffer.h.

Referenced by WalkerLogBuffer< WLog::Real >::addRow(), and WalkerLogBuffer< WLog::Real >::collect().

  {
    auto nrows = buffer.size(0);
    if (nrows == 0)
      nrows++;
    if (nrows != 1)
      throw std::runtime_error("WalkerLogBuffer::reset_rowsize  row_size (number of columns) should only be changed "
                               "during growth of the first row.");
    auto buffer_old(buffer);
    buffer.resize(nrows, row_size);
    std::copy_n(buffer_old.data(), buffer_old.size(), buffer.data());
    if (buffer.size(0) != 1)
      throw std::runtime_error(
          "WalkerLogBuffer::reset_rowsize  buffer should contain only a single row upon completion.");
    if (buffer.size(1) != row_size)
      throw std::runtime_error("WalkerLogBuffer::reset_rowsize  length of buffer row should match the requested "
                               "row_size following the reset/udpate.");
  }

sameAs()

bool sameAs ( const WalkerLogBuffer< T > &  ref )

inline

compare row size of this buffer to another one

Definition at line 163 of file WalkerLogBuffer.h.

Referenced by WalkerLogManager::checkCollectors().

{ return buffer.size(1) == ref.buffer.size(1); }

writeHDF() [1/2]

void writeHDF ( hdf_archive &  f )

inline

write the buffer data into the HDF file

Definition at line 338 of file WalkerLogBuffer.h.

Referenced by WalkerLogManager::writeBuffersHDF(), and WalkerLogBuffer< WLog::Real >::writeHDF().

{ writeHDF(f, hdf_file_pointer); }

writeHDF() [2/2]

void writeHDF ( hdf_archive &  f, hsize_t &  file_pointer  )

inline

write the buffer data into the HDF file

Definition at line 342 of file WalkerLogBuffer.h.

  {
    auto& top = label;
    hsize_t dims[2];
    dims[0] = buffer.size(0);
    dims[1] = buffer.size(1);
    if (dims[0] > 0)
    {
      f.push(top);
      h5d_append(f.top(), "data", file_pointer, buffer.dim(), dims, buffer.data());
      f.pop();
    }
    f.flush();
  }

writeSummary()

void writeSummary ( std::string  pad = "  " )

inline

write a summary of quantities in the buffer

Definition at line 294 of file WalkerLogBuffer.h.

  {
    std::string pad2 = pad + "  ";
    std::string pad3 = pad2 + "  ";
    app_log() << std::endl;
    app_log() << pad << "WalkerLogBuffer(" << label << ")" << std::endl;
    app_log() << pad2 << "nrows       = " << buffer.size(0) << std::endl;
    app_log() << pad2 << "row_size    = " << buffer.size(1) << std::endl;
    for (size_t n = 0; n < quantity_info.size(); ++n)
    {
      auto& wqi = quantity_info[n];
      app_log() << pad2 << "quantity " << n << ":  " << wqi.dimension << "  " << wqi.size << "  " << wqi.unit_size
                << "  " << wqi.buffer_start << "  " << wqi.buffer_end << " (" << wqi.name << ")" << std::endl;
    }
    app_log() << pad << "end WalkerLogBuffer(" << label << ")" << std::endl;
  }

Member Data Documentation

buffer

Array<T, 2> buffer

private

the walker data buffer itself

Definition at line 131 of file WalkerLogBuffer.h.

Referenced by WalkerLogBuffer< WLog::Real >::addRow(), WalkerLogBuffer< WLog::Real >::collect(), WalkerLogBuffer< WLog::Real >::makeNewRow(), WalkerLogBuffer< WLog::Real >::ncols(), WalkerLogBuffer< WLog::Real >::nrows(), WalkerLogBuffer< WLog::Real >::resetBuffer(), WalkerLogBuffer< WLog::Real >::resetRowSize(), WalkerLogBuffer< WLog::Real >::sameAs(), WalkerLogBuffer< WLog::Real >::writeHDF(), and WalkerLogBuffer< WLog::Real >::writeSummary().

first_collect

bool first_collect

marks first WalkerLogCollector::collect() call

Definition at line 117 of file WalkerLogBuffer.h.

Referenced by WalkerLogBuffer< WLog::Real >::addRow(), WalkerLogBuffer< WLog::Real >::collect(), WalkerLogBuffer< WLog::Real >::resetCollect(), and WalkerLogBuffer< WLog::Real >::WalkerLogBuffer().

hdf_file_pointer

hsize_t hdf_file_pointer

HDF file pointer.

Definition at line 119 of file WalkerLogBuffer.h.

Referenced by WalkerLogBuffer< WLog::Real >::registerHDFData(), WalkerLogManager::writeBuffersHDF(), and WalkerLogBuffer< WLog::Real >::writeHDF().

label

std::string label

label for this data in HDF file

Definition at line 115 of file WalkerLogBuffer.h.

Referenced by WalkerLogCollector::init(), WalkerLogBuffer< WLog::Real >::registerHDFData(), WalkerLogBuffer< WLog::Real >::WalkerLogBuffer(), WalkerLogManager::WalkerLogManager(), WalkerLogBuffer< WLog::Real >::writeHDF(), and WalkerLogBuffer< WLog::Real >::writeSummary().

quantity_index

size_t quantity_index

private

index of current quantity during WalkerLogCollector::collect()

Definition at line 123 of file WalkerLogBuffer.h.

Referenced by WalkerLogBuffer< WLog::Real >::collect(), WalkerLogBuffer< WLog::Real >::resetCollect(), and WalkerLogBuffer< WLog::Real >::WalkerLogBuffer().

quantity_info

std::vector<WalkerQuantityInfo> quantity_info

private

buffer row location data for each walker quantity used to populate "data_layout" field in HDF file

Definition at line 127 of file WalkerLogBuffer.h.

Referenced by WalkerLogBuffer< WLog::Real >::addRow(), WalkerLogBuffer< WLog::Real >::collect(), WalkerLogBuffer< WLog::Real >::registerHDFData(), WalkerLogBuffer< WLog::Real >::resetCollect(), and WalkerLogBuffer< WLog::Real >::writeSummary().

walker_data_size

size_t walker_data_size

private

total size of walker data stored in a buffer row

Definition at line 129 of file WalkerLogBuffer.h.

Referenced by WalkerLogBuffer< WLog::Real >::collect(), and WalkerLogBuffer< WLog::Real >::WalkerLogBuffer().

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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/WalkerLogBuffer.h