Communicate Class Reference

Wrapping information on parallelism. More...

Inheritance diagram for Communicate:

Collaboration diagram for Communicate:

Public Member Functions
	Communicate ()
	constructor More...
	Communicate (const Communicate &in_comm, int nparts)
	constructor that splits in_comm More...
virtual	~Communicate ()
	destructor Call proper finalization of Communication library More...
	Communicate (const Communicate &)=delete
	disable constructor More...
void	initialize (int argc, char **argv)
Communicate	NodeComm () const
	provide a node/shared-memory communicator from current (parent) communicator More...
void	finalize ()
void	barrier () const
void	abort () const
void	barrier_and_abort (const std::string &msg) const
void	set_world ()
mpi_comm_type	getMPI () const
	return the Communicator ID (typically MPI_WORLD_COMM) More...
int	rank () const
	return the rank More...
int	size () const
	return the number of tasks More...
int	getGroupID () const
	return the group id More...
int	getNumGroups () const
	return the number of intra_comms which belong to the same group More...
void	cleanupMessage (void *)
void	setNodeID (int i)
void	setNumNodes (int n)
void	setName (const std::string &aname)
void	setName (const char *aname, int alen)
const std::string &	getName () const
bool	isGroupLeader ()
	return true if the current MPI rank is the group lead More...
template<typename T >
void	allreduce (T &)
template<typename T >
void	reduce (T &)
template<typename T >
void	reduce (T *restrict, T *restrict, int n)
template<typename T >
void	reduce_in_place (T *restrict, int n)
template<typename T >
void	bcast (T &)
template<typename T >
void	bcast (T *restrict, int n)
template<typename T >
void	send (int dest, int tag, T &)
template<typename T >
void	gather (T &sb, T &rb, int dest=0)
template<typename T , typename IT >
void	gatherv (T &sb, T &rb, IT &counts, IT &displ, int dest=0)
template<typename T >
void	allgather (T &sb, T &rb, int count)
template<typename T , typename IT >
void	allgatherv (T &sb, T &rb, IT &counts, IT &displ)
template<typename T >
void	scatter (T &sb, T &rb, int dest=0)
template<typename T , typename IT >
void	scatterv (T &sb, T &rb, IT &counts, IT &displ, int source=0)
template<typename T >
request	irecv (int source, int tag, T &)
template<typename T >
request	isend (int dest, int tag, T &)
template<typename T >
request	irecv (int source, int tag, T *, int n)
template<typename T >
request	isend (int dest, int tag, T *, int n)
template<typename T , typename IT >
void	gatherv (T *sb, T *rb, int n, IT &counts, IT &displ, int dest=0)
template<typename T , typename TMPI , typename IT >
void	gatherv_in_place (T *buf, TMPI &datatype, IT &counts, IT &displ, int dest=0)
template<typename T >
void	allgather (T *sb, T *rb, int count)
template<typename T >
void	gsum (T &)
Communicate *	getGroupLeaderComm ()
template<>
void	allreduce (int &g)
template<>
void	allreduce (long &g)
template<>
void	allreduce (unsigned long &g)
template<>
void	allreduce (float &g)
template<>
void	allreduce (double &g)
template<>
void	allreduce (qmcplusplus::TinyVector< float, OHMMS_DIM > &g)
template<>
void	allreduce (qmcplusplus::TinyVector< double, OHMMS_DIM > &g)
template<>
void	allreduce (qmcplusplus::TinyVector< int, OHMMS_DIM > &g)
template<>
void	allreduce (std::vector< int > &g)
template<>
void	allreduce (std::vector< long > &g)
template<>
void	allreduce (std::vector< unsigned long > &g)
template<>
void	allreduce (std::vector< float > &g)
template<>
void	allreduce (std::vector< double > &g)
template<>
void	allreduce (std::vector< std::complex< float >> &g)
template<>
void	allreduce (std::vector< std::complex< double >> &g)
template<>
void	allreduce (PooledData< float > &g)
template<>
void	allreduce (PooledData< double > &g)
template<>
void	allreduce (qmcplusplus::Matrix< float > &g)
template<>
void	allreduce (qmcplusplus::Matrix< double > &g)
template<>
void	reduce (std::vector< float > &g)
template<>
void	reduce (std::vector< double > &g)
template<>
void	reduce (std::vector< int > &g)
template<>
void	reduce (std::vector< long > &g)
template<>
void	reduce (int *restrict g, int *restrict res, int n)
template<>
void	reduce (double *restrict g, double *restrict res, int n)
template<>
void	reduce_in_place (double *restrict res, int n)
template<>
void	reduce_in_place (float *restrict res, int n)
template<>
void	bcast (int &g)
template<>
void	bcast (uint32_t &g)
template<>
void	bcast (std::vector< uint32_t > &g)
template<>
void	bcast (double &g)
template<>
void	bcast (float &g)
template<>
void	bcast (bool &g)
template<>
void	bcast (qmcplusplus::TinyVector< double, 2 > &g)
template<>
void	bcast (qmcplusplus::TinyVector< int, 2 > &g)
template<>
void	bcast (qmcplusplus::TinyVector< int, 3 > &g)
template<>
void	bcast (std::vector< qmcplusplus::TinyVector< int, 3 >> &g)
template<>
void	bcast (qmcplusplus::TinyVector< double, 3 > &g)
template<>
void	bcast (qmcplusplus::TinyVector< float, 3 > &g)
template<>
void	bcast (qmcplusplus::TinyVector< double, 4 > &g)
template<>
void	bcast (qmcplusplus::Tensor< double, 3 > &g)
template<>
void	bcast (qmcplusplus::Tensor< float, 3 > &g)
template<>
void	bcast (qmcplusplus::Vector< double > &g)
template<>
void	bcast (qmcplusplus::Vector< float > &g)
template<>
void	bcast (qmcplusplus::Vector< std::complex< double >> &g)
template<>
void	bcast (qmcplusplus::Vector< std::complex< float >> &g)
template<>
void	bcast (qmcplusplus::Vector< int > &g)
template<>
void	bcast (qmcplusplus::Vector< qmcplusplus::TinyVector< double, 2 >> &g)
template<>
void	bcast (qmcplusplus::Vector< qmcplusplus::TinyVector< double, 3 >> &g)
template<>
void	bcast (qmcplusplus::Vector< qmcplusplus::TinyVector< float, 3 >> &g)
template<>
void	bcast (Array< double, 3 > &g)
template<>
void	bcast (Array< float, 3 > &g)
template<>
void	bcast (Array< int, 1 > &g)
template<>
void	bcast (Array< std::complex< double >, 1 > &g)
template<>
void	bcast (Array< std::complex< double >, 2 > &g)
template<>
void	bcast (Array< std::complex< double >, 3 > &g)
template<>
void	bcast (Array< std::complex< float >, 3 > &g)
template<>
void	bcast (std::vector< double > &g)
template<>
void	bcast (std::vector< std::complex< double >> &g)
template<>
void	bcast (std::vector< std::complex< float >> &g)
template<>
void	bcast (std::vector< float > &g)
template<>
void	bcast (PooledData< double > &g)
template<>
void	bcast (PooledData< float > &g)
template<>
void	bcast (PooledData< int > &g)
template<>
void	bcast (std::vector< qmcplusplus::TinyVector< double, 2 >> &g)
template<>
void	bcast (std::vector< qmcplusplus::TinyVector< double, 3 >> &g)
template<>
void	bcast (std::vector< qmcplusplus::TinyVector< float, 3 >> &g)
template<>
void	bcast (std::vector< int > &g)
template<>
void	bcast (std::vector< bool > &g)
template<>
void	bcast (double *restrict x, int n)
template<>
void	bcast (std::complex< double > *restrict x, int n)
template<>
void	bcast (float *restrict x, int n)
template<>
void	bcast (std::complex< float > *restrict x, int n)
template<>
void	bcast (int *restrict x, int n)
template<>
void	bcast (char *restrict x, int n)
template<>
void	bcast (std::string &g)
template<>
void	send (int dest, int tag, std::vector< double > &g)
template<>
Communicate::request	isend (int dest, int tag, std::vector< double > &g)
template<>
Communicate::request	irecv (int source, int tag, std::vector< double > &g)
template<>
void	gatherv (std::vector< char > &l, std::vector< char > &g, std::vector< int > &counts, std::vector< int > &displ, int dest)
template<>
void	gatherv (std::vector< double > &l, std::vector< double > &g, std::vector< int > &counts, std::vector< int > &displ, int dest)
template<>
void	gatherv (std::vector< float > &l, std::vector< float > &g, std::vector< int > &counts, std::vector< int > &displ, int dest)
template<>
void	gatherv (std::vector< int > &l, std::vector< int > &g, std::vector< int > &counts, std::vector< int > &displ, int dest)
template<>
void	allgather (std::vector< char > &sb, std::vector< char > &rb, int count)
template<>
void	allgather (std::vector< int > &sb, std::vector< int > &rb, int count)
template<>
void	allgatherv (std::vector< int > &l, std::vector< int > &g, std::vector< int > &counts, std::vector< int > &displ)
template<>
void	gatherv (std::vector< long > &l, std::vector< long > &g, std::vector< int > &counts, std::vector< int > &displ, int dest)
template<>
void	gather (std::vector< double > &l, std::vector< double > &g, int dest)
template<>
void	gather (std::vector< char > &l, std::vector< char > &g, int dest)
template<>
void	gather (std::vector< int > &l, std::vector< int > &g, int dest)
template<>
void	gatherv (PooledData< double > &l, PooledData< double > &g, std::vector< int > &counts, std::vector< int > &displ, int dest)
template<>
void	gather (PooledData< double > &l, PooledData< double > &g, int dest)
template<>
void	gsum (std::vector< int > &g)
template<>
void	gsum (std::vector< double > &g)
template<>
void	gsum (std::vector< std::complex< double >> &g)
template<>
void	gatherv (char *l, char *g, int n, std::vector< int > &counts, std::vector< int > &displ, int dest)
template<>
void	allgather (char *sb, char *rb, int count)
template<>
void	scatterv (std::vector< char > &sb, std::vector< char > &rb, std::vector< int > &counts, std::vector< int > &displ, int source)
template<>
void	allreduce (qmcplusplus::Matrix< std::complex< double >> &g)
template<>
void	allreduce (qmcplusplus::Matrix< std::complex< float >> &g)
template<>
void	bcast (std::complex< double > &g)
template<>
void	bcast (std::complex< float > &g)

Protected Attributes
mpi_comm_type	myMPI
	Raw communicator. More...
std::string	myName
	Communicator name. More...
int	d_mycontext
	Rank. More...
int	d_ncontexts
	Size. More...
int	d_groupid
	Group ID of the current communicator in the parent communicator. More...
int	d_ngroups
	Total number of groups in the parent communicator. More...
std::unique_ptr< Communicate >	GroupLeaderComm
	Group Leader Communicator. More...

Additional Inherited Members
Public Types inherited from CommunicatorTraits
using	mpi_comm_type = int
using	status = int
using	request = int
Static Public Attributes inherited from CommunicatorTraits
static const int	MPI_COMM_NULL = 0
static const int	MPI_REQUEST_NULL = 1

Detailed Description

Wrapping information on parallelism.

Very limited in functions. Currently, only single-mode or mpi-mode is available (mutually exclusive).

Todo:

Possibly, make it a general manager class for mpi+openmp, mpi+mpi

Definition at line 68 of file Communicate.h.

Constructor & Destructor Documentation

Communicate() [1/3]

Communicate

(

)

constructor

Definition at line 38 of file Communicate.cpp.

: myMPI(MPI_COMM_NULL), d_mycontext(0), d_ncontexts(1), d_groupid(0), d_ngroups(1) {}

Communicate() [2/3]

Communicate	(	const Communicate &	in_comm,
		int	nparts
	)

constructor that splits in_comm

Definition at line 119 of file Communicate.cpp.

References GroupLeaderComm.

    : myMPI(MPI_COMM_NULL), d_mycontext(0), d_ncontexts(1), d_groupid(0)
{
  GroupLeaderComm = std::make_unique<Communicate>();
}

~Communicate()

~Communicate ( )

virtualdefault

destructor Call proper finalization of Communication library

Communicate() [3/3]

Communicate ( const Communicate &  )

delete

disable constructor

Member Function Documentation

abort()

void abort

(

)

const

Definition at line 113 of file Communicate.cpp.

Referenced by PWOrbitalSet::addVector(), PWRealOrbitalSet::addVector(), barrier_and_abort(), PWOrbitalSetBuilder::createPW(), PWOrbitalSetBuilder::createPWBasis(), and PWOrbitalSetBuilder::getH5().

{ std::_Exit(EXIT_FAILURE); }

allgather() [1/5]

void allgather ( T &  sb, T &  rb, int  count  )

inline

Definition at line 77 of file CommOperatorsMPI.h.

{
  throw std::runtime_error("Need specialization for allgather(T&, T&, int)");
}

allgather() [2/5]

void allgather ( T *  sb, T *  rb, int  count  )

inline

Definition at line 129 of file CommOperatorsMPI.h.

{
  throw std::runtime_error("Need specialization for allgather(T*, T*, int)");
}

allgather() [3/5]

void allgather ( std::vector< char > &  sb, std::vector< char > &  rb, int  count  )

inline

Definition at line 820 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Allgather(&sb[0], count, MPI_CHAR, &rb[0], count, MPI_CHAR, myMPI);
}

allgather() [4/5]

void allgather ( std::vector< int > &  sb, std::vector< int > &  rb, int  count  )

inline

Definition at line 826 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Allgather(&sb[0], count, MPI_INT, &rb[0], count, MPI_INT, myMPI);
}

allgather() [5/5]

void allgather ( char *  sb, char *  rb, int  count  )

inline

Definition at line 924 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Allgather(sb, count, MPI_CHAR, rb, count, MPI_CHAR, myMPI);
}

allgatherv() [1/2]

void allgatherv	(	T &	sb,
		T &	rb,
		IT &	counts,
		IT &	displ
	)

allgatherv() [2/2]

void allgatherv ( std::vector< int > &  l, std::vector< int > &  g, std::vector< int > &  counts, std::vector< int > &  displ  )

inline

Definition at line 833 of file CommOperatorsMPI.h.

References myMPI.

{
  int ierr = MPI_Allgatherv(&l[0], l.size(), MPI_INT, &g[0], &counts[0], &displ[0], MPI_INT, myMPI);
}

allreduce() [1/22]

void allreduce ( T &  )

inline

Definition at line 29 of file CommOperatorsMPI.h.

Referenced by QMCDriverNew::adjustGlobalWalkerCount(), WalkerControlMPI::branch(), QMCCostFunction::checkConfigurations(), QMCCostFunctionBatched::checkConfigurations(), TimerManager< qmcplusplus::TimerType< CLOCK > >::collate_flat_profile(), WalkerControl::computeCurData(), QMCCostFunction::correlatedSampling(), QMCCostFunctionBatched::correlatedSampling(), WalkerControlBase::doNotBranch(), QMCCostFunction::fillOverlapHamiltonianMatrices(), QMCCostFunctionBatched::fillOverlapHamiltonianMatrices(), QMCCostFunction::GradCost(), QMCCostFunctionBatched::GradCost(), SimpleFixedNodeBranch::initWalkerController(), EstimatorManagerNew::makeBlockAverages(), MCPopulation::measureGlobalEnergyVariance(), DescentEngine::mpi_unbiased_ratio_of_means(), QMCDriver::putWalkers(), UnifiedDriverWalkerControlMPITest::reportWalkersPerRank(), DescentEngine::sample_finish(), QMCDriver::setWalkerOffsets(), QMCDriverNew::setWalkerOffsets(), WalkerReconfigurationMPI::swapWalkers(), WalkerControl::syncFutureWalkersPerRank(), and MCPopulation::syncWalkersPerRank().

{
  throw std::runtime_error("Need specialization for allreduce(T&)");
}

allreduce() [2/22]

void allreduce ( int &  g )

inline

Definition at line 208 of file CommOperatorsMPI.h.

References d_ncontexts, and myMPI.

{
  if (d_ncontexts == 1)
    return;
  int gt = g;
  MPI_Allreduce(&(gt), &(g), 1, MPI_INT, MPI_SUM, myMPI);
}

allreduce() [3/22]

void allreduce ( long &  g )

inline

Definition at line 217 of file CommOperatorsMPI.h.

References d_ncontexts, and myMPI.

{
  if (d_ncontexts == 1)
    return;
  long gt = g;
  MPI_Allreduce(&(gt), &(g), 1, MPI_LONG, MPI_SUM, myMPI);
}

allreduce() [4/22]

void allreduce ( unsigned long &  g )

inline

Definition at line 226 of file CommOperatorsMPI.h.

References d_ncontexts, and myMPI.

{
  if (d_ncontexts == 1)
    return;
  unsigned long gt = g;
  MPI_Allreduce(&(gt), &(g), 1, MPI_UNSIGNED_LONG, MPI_SUM, myMPI);
}

allreduce() [5/22]

void allreduce ( float &  g )

inline

Definition at line 235 of file CommOperatorsMPI.h.

References d_ncontexts, and myMPI.

{
  if (d_ncontexts == 1)
    return;
  float gt = g;
  MPI_Allreduce(&(gt), &(g), 1, MPI_FLOAT, MPI_SUM, myMPI);
}

allreduce() [6/22]

void allreduce ( double &  g )

inline

Definition at line 244 of file CommOperatorsMPI.h.

References d_ncontexts, and myMPI.

{
  if (d_ncontexts == 1)
    return;
  double gt = g;
  MPI_Allreduce(&(gt), &(g), 1, MPI_DOUBLE, MPI_SUM, myMPI);
}

allreduce() [7/22]

void allreduce ( qmcplusplus::TinyVector< float, OHMMS_DIM > &  g )

inline

Definition at line 253 of file CommOperatorsMPI.h.

References TinyVector< T, D >::begin(), d_ncontexts, myMPI, and OHMMS_DIM.

{
  if (d_ncontexts == 1)
    return;
  qmcplusplus::TinyVector<float, OHMMS_DIM> gt(g);
  MPI_Allreduce(g.begin(), gt.begin(), OHMMS_DIM, MPI_FLOAT, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [8/22]

void allreduce ( qmcplusplus::TinyVector< double, OHMMS_DIM > &  g )

inline

Definition at line 263 of file CommOperatorsMPI.h.

References TinyVector< T, D >::begin(), d_ncontexts, myMPI, and OHMMS_DIM.

{
  if (d_ncontexts == 1)
    return;
  qmcplusplus::TinyVector<double, OHMMS_DIM> gt(g);
  MPI_Allreduce(g.begin(), gt.begin(), OHMMS_DIM, MPI_DOUBLE, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [9/22]

void allreduce ( qmcplusplus::TinyVector< int, OHMMS_DIM > &  g )

inline

Definition at line 273 of file CommOperatorsMPI.h.

References TinyVector< T, D >::begin(), d_ncontexts, myMPI, and OHMMS_DIM.

{
  if (d_ncontexts == 1)
    return;
  qmcplusplus::TinyVector<int, OHMMS_DIM> gt(g);
  MPI_Allreduce(g.begin(), gt.begin(), OHMMS_DIM, MPI_INT, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [10/22]

void allreduce ( std::vector< int > &  g )

inline

Definition at line 283 of file CommOperatorsMPI.h.

References d_ncontexts, and myMPI.

{
  if (d_ncontexts == 1)
    return;
  std::vector<int> gt(g.size(), 0);
  MPI_Allreduce(&(g[0]), &(gt[0]), g.size(), MPI_INT, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [11/22]

void allreduce ( std::vector< long > &  g )

inline

Definition at line 293 of file CommOperatorsMPI.h.

References d_ncontexts, and myMPI.

{
  if (d_ncontexts == 1)
    return;
  std::vector<long> gt(g.size(), 0);
  MPI_Allreduce(&(g[0]), &(gt[0]), g.size(), MPI_LONG, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [12/22]

void allreduce ( std::vector< unsigned long > &  g )

inline

Definition at line 303 of file CommOperatorsMPI.h.

References d_ncontexts, and myMPI.

{
  if (d_ncontexts == 1)
    return;
  std::vector<unsigned long> gt(g.size(), 0);
  MPI_Allreduce(&(g[0]), &(gt[0]), g.size(), MPI_UNSIGNED_LONG, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [13/22]

void allreduce ( std::vector< float > &  g )

inline

Definition at line 313 of file CommOperatorsMPI.h.

References myMPI.

{
  std::vector<float> gt(g.size(), 0.0f);
  MPI_Allreduce(&(g[0]), &(gt[0]), g.size(), MPI_FLOAT, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [14/22]

void allreduce ( std::vector< double > &  g )

inline

Definition at line 321 of file CommOperatorsMPI.h.

References myMPI.

{
  std::vector<double> gt(g.size(), 0.0);
  MPI_Allreduce(&(g[0]), &(gt[0]), g.size(), MPI_DOUBLE, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [15/22]

void allreduce ( std::vector< std::complex< float >> &  g )

inline

Definition at line 329 of file CommOperatorsMPI.h.

References myMPI.

{
  std::vector<std::complex<float>> gt(g.size(), std::complex<float>(0.0));
  MPI_Allreduce(&(g[0]), &(gt[0]), 2 * g.size(), MPI_FLOAT, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [16/22]

void allreduce ( std::vector< std::complex< double >> &  g )

inline

Definition at line 337 of file CommOperatorsMPI.h.

References myMPI.

{
  std::vector<std::complex<double>> gt(g.size(), std::complex<double>(0.0));
  MPI_Allreduce(&(g[0]), &(gt[0]), 2 * g.size(), MPI_DOUBLE, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [17/22]

void allreduce ( PooledData< float > &  g )

inline

Definition at line 345 of file CommOperatorsMPI.h.

References PooledData< T >::data(), myMPI, and PooledData< T >::size().

{
  PooledData<float> gt(g.size());
  MPI_Allreduce(g.data(), gt.data(), g.size(), MPI_FLOAT, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [18/22]

void allreduce ( PooledData< double > &  g )

inline

Definition at line 353 of file CommOperatorsMPI.h.

References myMPI, and PooledData< T >::size().

{
  PooledData<double> gt(g.size());
  MPI_Allreduce(&(g[0]), &(gt[0]), g.size(), MPI_DOUBLE, MPI_SUM, myMPI);
  g = gt;
}

allreduce() [19/22]

void allreduce ( qmcplusplus::Matrix< float > &  g )

inline

Definition at line 361 of file CommOperatorsMPI.h.

References Matrix< T, Alloc >::begin(), copy(), Matrix< T, Alloc >::data(), Matrix< T, Alloc >::end(), myMPI, and Matrix< T, Alloc >::size().

{
  std::vector<float> gt(g.size());
  std::copy(g.begin(), g.end(), gt.begin());
  MPI_Allreduce(g.data(), &gt[0], g.size(), MPI_FLOAT, MPI_SUM, myMPI);
  std::copy(gt.begin(), gt.end(), g.data());
}

allreduce() [20/22]

void allreduce ( qmcplusplus::Matrix< double > &  g )

inline

Definition at line 370 of file CommOperatorsMPI.h.

References Matrix< T, Alloc >::begin(), copy(), Matrix< T, Alloc >::data(), Matrix< T, Alloc >::end(), myMPI, and Matrix< T, Alloc >::size().

{
  std::vector<double> gt(g.size());
  copy(g.begin(), g.end(), gt.begin());
  MPI_Allreduce(g.data(), &gt[0], g.size(), MPI_DOUBLE, MPI_SUM, myMPI);
  copy(gt.begin(), gt.end(), g.data());
}

allreduce() [21/22]

void allreduce ( qmcplusplus::Matrix< std::complex< double >> &  g )

inline

Definition at line 950 of file CommOperatorsMPI.h.

References copy(), and myMPI.

{
  std::vector<std::complex<double>> gt(g.size());
  std::copy(g.begin(), g.end(), gt.begin());
  MPI_Allreduce(g.data(), &gt[0], 2 * g.size(), MPI_DOUBLE, MPI_SUM, myMPI);
  std::copy(gt.begin(), gt.end(), g.data());
}

allreduce() [22/22]

void allreduce ( qmcplusplus::Matrix< std::complex< float >> &  g )

inline

Definition at line 959 of file CommOperatorsMPI.h.

References copy(), and myMPI.

{
  std::vector<std::complex<float>> gt(g.size());
  std::copy(g.begin(), g.end(), gt.begin());
  MPI_Allreduce(g.data(), &gt[0], 2 * g.size(), MPI_FLOAT, MPI_SUM, myMPI);
  std::copy(gt.begin(), gt.end(), g.data());
}

barrier()

void barrier

(

)

const

Definition at line 115 of file Communicate.cpp.

Referenced by barrier_and_abort(), QMCCostFunction::correlatedSampling(), QMCCostFunctionBatched::correlatedSampling(), OrbitalImages::evaluate(), QMCMain::execute(), SplineSetReader< typename SA::SplineBase >::initialize_spline_pio_gather(), QMCDriverNew::measureImbalance(), HDFWalkerInput_0_4::read_hdf5_scatter(), VMCBatched::run(), DMCBatched::run(), EinsplineSetBuilder::set_metadata(), and qmcplusplus::TEST_CASE().

{}

barrier_and_abort()

void barrier_and_abort

(

const std::string &

msg

)

const

Definition at line 126 of file Communicate.cpp.

References abort(), barrier(), and rank().

Referenced by HamiltonianFactory::addMPCPotential(), SPOSetBuilderFactory::addSPOSet(), RadialJastrowBuilder::buildComponent(), SlaterDetBuilder::buildComponent(), ECPComponentBuilder::buildL2(), ECPComponentBuilder::buildLocal(), ECPComponentBuilder::buildSemiLocalAndLocal(), SPOSetBuilderFactory::buildSPOSetCollection(), qmcplusplus::createDriftModifier(), RadialJastrowBuilder::createJ1(), SPOSetBuilder::createRotatedSPOSet(), SPOSetBuilder::createSPOSet(), EinsplineSetBuilder::createSPOSet(), SPOSetBuilderFactory::createSPOSetBuilder(), LCAOSpinorBuilder::createSPOSetFromXML(), LCAOrbitalBuilder::createSPOSetFromXML(), EinsplineSpinorSetBuilder::createSPOSetFromXML(), EinsplineSetBuilder::createSPOSetFromXML(), QMCMain::execute(), LCAOSpinorBuilder::LCAOSpinorBuilder(), LCAOSpinorBuilder::loadMO(), main(), EinsplineSetBuilder::OccupyBands_ESHDF(), ECPComponentBuilder::parseCasino(), VMCBatched::process(), DMCBatched::process(), QMCFixedSampleLinearOptimize::processOptXML(), QMCMain::processPWH(), HDFWalkerInputManager::put(), ParticleSetPool::put(), WaveFunctionPool::put(), WalkerControl::put(), LCAOSpinorBuilder::putFromH5(), LCAOrbitalBuilder::putFromH5(), ECPComponentBuilder::read_pp_file(), SlaterDetBuilder::readDetList(), ParticleSetPool::readSimulationCellXML(), QMCFixedSampleLinearOptimize::run(), QMCMain::runQMC(), EinsplineSetBuilder::set_metadata(), ECPotentialBuilder::useXmlFormat(), and QMCMain::validateXML().

{
  if (!rank())
    std::cerr << "Fatal Error. Aborting at " << msg << std::endl;
  Communicate::barrier();
  Communicate::abort();
}

bcast() [1/53]

void bcast ( T &  )

inline

Definition at line 53 of file CommOperatorsMPI.h.

Referenced by bcast(), EinsplineSetBuilder::bcastSortBands(), EinsplineSetBuilder::BroadcastOrbitalInfo(), PWParameterSet::checkVersion(), HybridRepSetReader< SA >::create_atomic_centers_Gspace(), LCAOrbitalBuilder::createBasisSetH5(), LCAOrbitalBuilder::createSPOSetFromXML(), LCAOrbitalBuilder::EvalPeriodicImagePhaseFactors(), EstimatorManagerNew::getApproximateEnergyVariance(), EstimatorManagerBase::getApproximateEnergyVariance(), PWParameterSet::getEigVectorType(), PWParameterSet::hasComplexData(), HybridRepSetReader< SA >::initialize_hybrid_pio_gather(), LCAOrbitalBuilder::loadBasisSetFromH5(), LCAOSpinorBuilder::loadMO(), LCAOrbitalBuilder::loadMO(), QMCFixedSampleLinearOptimizeBatched::one_shift_run(), ReadFileBuffer::open_file(), GaussianCombo< T >::putBasisGroupH5(), LCAOrbitalBuilder::putFromH5(), QMCDriver::putWalkers(), QMCDriverNew::putWalkers(), ReadFileBuffer::read_contents(), EinsplineSetBuilder::ReadGvectors_ESHDF(), VMC::run(), RMC::run(), DMC::run(), VMCBatched::run(), DMCBatched::run(), and WalkerReconfigurationMPI::swapWalkers().

{
  throw std::runtime_error("Need specialization for bcast(T&)");
}

bcast() [2/53]

void bcast ( T *  restrict, int  n  )

inline

Definition at line 59 of file CommOperatorsMPI.h.

{
  throw std::runtime_error("Need specialization for bcast(T* restrict ,int n)");
}

bcast() [3/53]

void bcast ( int &  g )

inline

Definition at line 445 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&g, 1, MPI_INT, 0, myMPI);
}

bcast() [4/53]

void bcast ( uint32_t &  g )

inline

Definition at line 451 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&g, 1, MPI_UNSIGNED, 0, myMPI);
}

bcast() [5/53]

void bcast ( std::vector< uint32_t > &  g )

inline

Definition at line 457 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), g.size(), MPI_UNSIGNED, 0, myMPI);
}

bcast() [6/53]

void bcast ( double &  g )

inline

Definition at line 464 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&g, 1, MPI_DOUBLE, 0, myMPI);
}

bcast() [7/53]

void bcast ( float &  g )

inline

Definition at line 470 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&g, 1, MPI_FLOAT, 0, myMPI);
}

bcast() [8/53]

void bcast ( bool &  g )

inline

Definition at line 476 of file CommOperatorsMPI.h.

References myMPI.

{
  int val = g ? 1 : 0;
  MPI_Bcast(&val, 1, MPI_INT, 0, myMPI);
  g = val != 0;
}

bcast() [9/53]

void bcast ( qmcplusplus::TinyVector< double, 2 > &  g )

inline

Definition at line 484 of file CommOperatorsMPI.h.

References TinyVector< T, D >::begin(), and myMPI.

{
  MPI_Bcast(g.begin(), 2, MPI_DOUBLE, 0, myMPI);
}

bcast() [10/53]

void bcast ( qmcplusplus::TinyVector< int, 2 > &  g )

inline

Definition at line 490 of file CommOperatorsMPI.h.

References TinyVector< T, D >::begin(), and myMPI.

{
  MPI_Bcast(g.begin(), 2, MPI_INT, 0, myMPI);
}

bcast() [11/53]

void bcast ( qmcplusplus::TinyVector< int, 3 > &  g )

inline

Definition at line 496 of file CommOperatorsMPI.h.

References TinyVector< T, D >::begin(), and myMPI.

{
  MPI_Bcast(g.begin(), 3, MPI_INT, 0, myMPI);
}

bcast() [12/53]

void bcast ( std::vector< qmcplusplus::TinyVector< int, 3 >> &  g )

inline

Definition at line 502 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&g[0][0], 3 * g.size(), MPI_INT, 0, myMPI);
}

bcast() [13/53]

void bcast ( qmcplusplus::TinyVector< double, 3 > &  g )

inline

Definition at line 508 of file CommOperatorsMPI.h.

References TinyVector< T, D >::begin(), and myMPI.

{
  MPI_Bcast(g.begin(), 3, MPI_DOUBLE, 0, myMPI);
}

bcast() [14/53]

void bcast ( qmcplusplus::TinyVector< float, 3 > &  g )

inline

Definition at line 514 of file CommOperatorsMPI.h.

References TinyVector< T, D >::begin(), and myMPI.

{
  MPI_Bcast(g.begin(), 3, MPI_FLOAT, 0, myMPI);
}

bcast() [15/53]

void bcast ( qmcplusplus::TinyVector< double, 4 > &  g )

inline

Definition at line 520 of file CommOperatorsMPI.h.

References TinyVector< T, D >::begin(), and myMPI.

{
  MPI_Bcast(g.begin(), 4, MPI_DOUBLE, 0, myMPI);
}

bcast() [16/53]

void bcast ( qmcplusplus::Tensor< double, 3 > &  g )

inline

Definition at line 526 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), 9, MPI_DOUBLE, 0, myMPI);
}

bcast() [17/53]

void bcast ( qmcplusplus::Tensor< float, 3 > &  g )

inline

Definition at line 532 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), 9, MPI_FLOAT, 0, myMPI);
}

bcast() [18/53]

void bcast ( qmcplusplus::Vector< double > &  g )

inline

Definition at line 538 of file CommOperatorsMPI.h.

References myMPI, and Vector< T, Alloc >::size().

{
  MPI_Bcast(&(g[0]), g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [19/53]

void bcast ( qmcplusplus::Vector< float > &  g )

inline

Definition at line 544 of file CommOperatorsMPI.h.

References myMPI, and Vector< T, Alloc >::size().

{
  MPI_Bcast(&(g[0]), g.size(), MPI_FLOAT, 0, myMPI);
}

bcast() [20/53]

void bcast ( qmcplusplus::Vector< std::complex< double >> &  g )

inline

Definition at line 550 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), 2 * g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [21/53]

void bcast ( qmcplusplus::Vector< std::complex< float >> &  g )

inline

Definition at line 556 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), 2 * g.size(), MPI_FLOAT, 0, myMPI);
}

bcast() [22/53]

void bcast ( qmcplusplus::Vector< int > &  g )

inline

Definition at line 562 of file CommOperatorsMPI.h.

References myMPI, and Vector< T, Alloc >::size().

{
  MPI_Bcast(&(g[0]), g.size(), MPI_INT, 0, myMPI);
}

bcast() [23/53]

void bcast ( qmcplusplus::Vector< qmcplusplus::TinyVector< double, 2 >> &  g )

inline

Definition at line 569 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), 2 * g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [24/53]

void bcast ( qmcplusplus::Vector< qmcplusplus::TinyVector< double, 3 >> &  g )

inline

Definition at line 575 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), 3 * g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [25/53]

void bcast ( qmcplusplus::Vector< qmcplusplus::TinyVector< float, 3 >> &  g )

inline

Definition at line 581 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), 3 * g.size(), MPI_FLOAT, 0, myMPI);
}

bcast() [26/53]

void bcast ( Array< double, 3 > &  g )

inline

Definition at line 587 of file CommOperatorsMPI.h.

References Array< T, D, ALLOC >::data(), myMPI, and Array< T, D, ALLOC >::size().

{
  MPI_Bcast(g.data(), g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [27/53]

void bcast ( Array< float, 3 > &  g )

inline

Definition at line 593 of file CommOperatorsMPI.h.

References Array< T, D, ALLOC >::data(), myMPI, and Array< T, D, ALLOC >::size().

{
  MPI_Bcast(g.data(), g.size(), MPI_FLOAT, 0, myMPI);
}

bcast() [28/53]

void bcast ( Array< int, 1 > &  g )

inline

Definition at line 599 of file CommOperatorsMPI.h.

References Array< T, D, ALLOC >::data(), myMPI, and Array< T, D, ALLOC >::size().

{
  MPI_Bcast(g.data(), g.size(), MPI_INT, 0, myMPI);
}

bcast() [29/53]

void bcast ( Array< std::complex< double >, 1 > &  g )

inline

Definition at line 606 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(g.data(), 2 * g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [30/53]

void bcast ( Array< std::complex< double >, 2 > &  g )

inline

Definition at line 613 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(g.data(), 2 * g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [31/53]

void bcast ( Array< std::complex< double >, 3 > &  g )

inline

Definition at line 619 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(g.data(), 2 * g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [32/53]

void bcast ( Array< std::complex< float >, 3 > &  g )

inline

Definition at line 625 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(g.data(), 2 * g.size(), MPI_FLOAT, 0, myMPI);
}

bcast() [33/53]

void bcast ( std::vector< double > &  g )

inline

Definition at line 632 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [34/53]

void bcast ( std::vector< std::complex< double >> &  g )

inline

Definition at line 638 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), 2 * g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [35/53]

void bcast ( std::vector< std::complex< float >> &  g )

inline

Definition at line 644 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), 2 * g.size(), MPI_FLOAT, 0, myMPI);
}

bcast() [36/53]

void bcast ( std::vector< float > &  g )

inline

Definition at line 650 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), g.size(), MPI_FLOAT, 0, myMPI);
}

bcast() [37/53]

void bcast ( PooledData< double > &  g )

inline

Definition at line 656 of file CommOperatorsMPI.h.

References PooledData< T >::data(), myMPI, and PooledData< T >::size().

{
  MPI_Bcast(g.data(), g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [38/53]

void bcast ( PooledData< float > &  g )

inline

Definition at line 662 of file CommOperatorsMPI.h.

References PooledData< T >::data(), myMPI, and PooledData< T >::size().

{
  MPI_Bcast(g.data(), g.size(), MPI_FLOAT, 0, myMPI);
}

bcast() [39/53]

void bcast ( PooledData< int > &  g )

inline

Definition at line 668 of file CommOperatorsMPI.h.

References PooledData< T >::data(), myMPI, and PooledData< T >::size().

{
  MPI_Bcast(g.data(), g.size(), MPI_INT, 0, myMPI);
}

bcast() [40/53]

void bcast ( std::vector< qmcplusplus::TinyVector< double, 2 >> &  g )

inline

Definition at line 674 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0][0]), 2 * g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [41/53]

void bcast ( std::vector< qmcplusplus::TinyVector< double, 3 >> &  g )

inline

Definition at line 680 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0][0]), 3 * g.size(), MPI_DOUBLE, 0, myMPI);
}

bcast() [42/53]

void bcast ( std::vector< qmcplusplus::TinyVector< float, 3 >> &  g )

inline

Definition at line 686 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0][0]), 3 * g.size(), MPI_FLOAT, 0, myMPI);
}

bcast() [43/53]

void bcast ( std::vector< int > &  g )

inline

Definition at line 692 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&(g[0]), g.size(), MPI_INT, 0, myMPI);
}

bcast() [44/53]

void bcast ( std::vector< bool > &  g )

inline

Definition at line 698 of file CommOperatorsMPI.h.

References myMPI.

{
  std::vector<int> intVec(g.size());
  for (int i = 0; i < g.size(); i++)
    intVec[i] = g[i] ? 1 : 0;
  MPI_Bcast(&(intVec[0]), g.size(), MPI_INT, 0, myMPI);
  for (int i = 0; i < g.size(); i++)
    g[i] = intVec[i] != 0;
}

bcast() [45/53]

void bcast ( double *restrict  x, int  n  )

inline

Definition at line 709 of file CommOperatorsMPI.h.

References myMPI, and qmcplusplus::n.

{
  MPI_Bcast(x, n, MPI_DOUBLE, 0, myMPI);
}

bcast() [46/53]

void bcast ( std::complex< double > *restrict  x, int  n  )

inline

Definition at line 715 of file CommOperatorsMPI.h.

References myMPI, and qmcplusplus::n.

{
  MPI_Bcast(x, 2*n, MPI_DOUBLE, 0, myMPI);
}

bcast() [47/53]

void bcast ( float *restrict  x, int  n  )

inline

Definition at line 721 of file CommOperatorsMPI.h.

References myMPI, and qmcplusplus::n.

{
  MPI_Bcast(x, n, MPI_FLOAT, 0, myMPI);
}

bcast() [48/53]

void bcast ( std::complex< float > *restrict  x, int  n  )

inline

Definition at line 727 of file CommOperatorsMPI.h.

References myMPI, and qmcplusplus::n.

{
  MPI_Bcast(x, 2*n, MPI_FLOAT, 0, myMPI);
}

bcast() [49/53]

void bcast ( int *restrict  x, int  n  )

inline

Definition at line 733 of file CommOperatorsMPI.h.

References myMPI, and qmcplusplus::n.

{
  MPI_Bcast(x, n, MPI_INT, 0, myMPI);
}

bcast() [50/53]

void bcast ( char *restrict  x, int  n  )

inline

Definition at line 739 of file CommOperatorsMPI.h.

References myMPI, and qmcplusplus::n.

{
  MPI_Bcast(x, n, MPI_CHAR, 0, myMPI);
}

bcast() [51/53]

void bcast ( std::string &  g )

inline

Definition at line 745 of file CommOperatorsMPI.h.

References bcast(), and rank().

{
  int string_size = g.size();

  bcast(string_size);
  if (rank() != 0)
    g.resize(string_size);

  bcast(&g[0], g.size());
}

bcast() [52/53]

void bcast ( std::complex< double > &  g )

inline

Definition at line 968 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&g, 2, MPI_DOUBLE, 0, myMPI);
}

bcast() [53/53]

void bcast ( std::complex< float > &  g )

inline

Definition at line 974 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Bcast(&g, 2, MPI_FLOAT, 0, myMPI);
}

cleanupMessage()

void cleanupMessage

(

void *

)

Definition at line 117 of file Communicate.cpp.

{}

finalize()

void finalize

(

)

Definition at line 111 of file Communicate.cpp.

Referenced by QMCState::initialize(), and main().

{}

gather() [1/5]

void gather ( T &  sb, T &  rb, int  dest = 0  )

inline

Definition at line 71 of file CommOperatorsMPI.h.

Referenced by QMCDriverNew::measureImbalance().

{
  throw std::runtime_error("Need specialization for gather(T&, T&, int)");
}

gather() [2/5]

void gather ( std::vector< double > &  l, std::vector< double > &  g, int  dest  )

inline

Definition at line 852 of file CommOperatorsMPI.h.

References myMPI.

{
  int ierr = MPI_Gather(&l[0], l.size(), MPI_DOUBLE, &g[0], l.size(), MPI_DOUBLE, dest, myMPI);
}

gather() [3/5]

void gather ( std::vector< char > &  l, std::vector< char > &  g, int  dest  )

inline

Definition at line 858 of file CommOperatorsMPI.h.

References myMPI.

{
  int ierr = MPI_Gather(&l[0], l.size(), MPI_CHAR, &g[0], l.size(), MPI_CHAR, dest, myMPI);
}

gather() [4/5]

void gather ( std::vector< int > &  l, std::vector< int > &  g, int  dest  )

inline

Definition at line 864 of file CommOperatorsMPI.h.

References myMPI.

{
  int ierr = MPI_Gather(&l[0], l.size(), MPI_INT, &g[0], l.size(), MPI_INT, dest, myMPI);
}

gather() [5/5]

void gather ( PooledData< double > &  l, PooledData< double > &  g, int  dest  )

inline

Definition at line 880 of file CommOperatorsMPI.h.

References PooledData< T >::data(), myMPI, and PooledData< T >::size().

{
  int ierr = MPI_Gather(l.data(), l.size(), MPI_DOUBLE, g.data(), l.size(), MPI_DOUBLE, dest, myMPI);
}

gatherv() [1/9]

void gatherv ( T &  sb, T &  rb, IT &  counts, IT &  displ, int  dest = 0  )

inline

Definition at line 83 of file CommOperatorsMPI.h.

{
  throw std::runtime_error("Need specialization for gatherv(T&, T&, IT&, IT&, int)");
}

gatherv() [2/9]

void gatherv ( T *  sb, T *  rb, int  n, IT &  counts, IT &  displ, int  dest = 0  )

inline

Definition at line 135 of file CommOperatorsMPI.h.

{
  throw std::runtime_error("Need specialization for gatherv(T*, T*, int, IT&, IT&, int)");
}

gatherv() [3/9]

void gatherv ( std::vector< char > &  l, std::vector< char > &  g, std::vector< int > &  counts, std::vector< int > &  displ, int  dest  )

inline

Definition at line 779 of file CommOperatorsMPI.h.

References myMPI.

{
  int ierr = MPI_Gatherv(&l[0], l.size(), MPI_CHAR, &g[0], &counts[0], &displ[0], MPI_CHAR, dest, myMPI);
}

gatherv() [4/9]

void gatherv ( std::vector< double > &  l, std::vector< double > &  g, std::vector< int > &  counts, std::vector< int > &  displ, int  dest  )

inline

Definition at line 790 of file CommOperatorsMPI.h.

References myMPI.

{
  int ierr = MPI_Gatherv(&l[0], l.size(), MPI_DOUBLE, &g[0], &counts[0], &displ[0], MPI_DOUBLE, dest, myMPI);
}

gatherv() [5/9]

void gatherv ( std::vector< float > &  l, std::vector< float > &  g, std::vector< int > &  counts, std::vector< int > &  displ, int  dest  )

inline

Definition at line 800 of file CommOperatorsMPI.h.

References myMPI.

{
  int ierr = MPI_Gatherv(&l[0], l.size(), MPI_FLOAT, &g[0], &counts[0], &displ[0], MPI_FLOAT, dest, myMPI);
}

gatherv() [6/9]

void gatherv ( std::vector< int > &  l, std::vector< int > &  g, std::vector< int > &  counts, std::vector< int > &  displ, int  dest  )

inline

Definition at line 810 of file CommOperatorsMPI.h.

References myMPI.

{
  int ierr = MPI_Gatherv(&l[0], l.size(), MPI_INT, &g[0], &counts[0], &displ[0], MPI_INT, dest, myMPI);
}

gatherv() [7/9]

void gatherv ( std::vector< long > &  l, std::vector< long > &  g, std::vector< int > &  counts, std::vector< int > &  displ, int  dest  )

inline

Definition at line 842 of file CommOperatorsMPI.h.

References myMPI.

{
  int ierr = MPI_Gatherv(&l[0], l.size(), MPI_LONG, &g[0], &counts[0], &displ[0], MPI_LONG, dest, myMPI);
}

gatherv() [8/9]

void gatherv ( PooledData< double > &  l, PooledData< double > &  g, std::vector< int > &  counts, std::vector< int > &  displ, int  dest  )

inline

Definition at line 870 of file CommOperatorsMPI.h.

References PooledData< T >::data(), myMPI, and PooledData< T >::size().

{
  int ierr = MPI_Gatherv(l.data(), l.size(), MPI_DOUBLE, g.data(), &counts[0], &displ[0], MPI_DOUBLE, dest, myMPI);
}

gatherv() [9/9]

void gatherv ( char *  l, char *  g, int  n, std::vector< int > &  counts, std::vector< int > &  displ, int  dest  )

inline

Definition at line 918 of file CommOperatorsMPI.h.

References myMPI, and qmcplusplus::n.

{
  int ierr = MPI_Gatherv(l, n, MPI_CHAR, g, &counts[0], &displ[0], MPI_CHAR, dest, myMPI);
}

gatherv_in_place()

void gatherv_in_place ( T *  buf, TMPI &  datatype, IT &  counts, IT &  displ, int  dest = 0  )

inline

Definition at line 940 of file CommOperatorsMPI.h.

References d_mycontext, and myMPI.

{
  if (!d_mycontext)
    MPI_Gatherv(MPI_IN_PLACE, 0, datatype, buf, counts.data(), displ.data(), datatype, dest, myMPI);
  else
    MPI_Gatherv(buf + displ[d_mycontext], counts[d_mycontext], datatype, NULL, counts.data(), displ.data(), datatype,
                dest, myMPI);
}

getGroupID()

int getGroupID ( ) const

inline

return the group id

Definition at line 121 of file Communicate.h.

References d_groupid.

Referenced by HybridRepSetReader< SA >::create_atomic_centers_Gspace(), MPIObjectBase::getGroupID(), HybridRepSetReader< SA >::initialize_hybrid_pio_gather(), SplineSetReader< typename SA::SplineBase >::initialize_spline_pio_gather(), BsplineReader::initialize_spo2band(), main(), ProjectData::previousRoot(), QMCMain::QMCMain(), and ProjectData::reset().

{ return d_groupid; }

getGroupLeaderComm()

Communicate* getGroupLeaderComm ( )

inline

Definition at line 230 of file Communicate.h.

References GroupLeaderComm.

Referenced by HybridRepSetReader< SA >::initialize_hybrid_pio_gather(), and SplineSetReader< typename SA::SplineBase >::initialize_spline_pio_gather().

{ return GroupLeaderComm.get(); }

getMPI()

mpi_comm_type getMPI ( ) const

inline

return the Communicator ID (typically MPI_WORLD_COMM)

Definition at line 113 of file Communicate.h.

References myMPI.

Referenced by MPIObjectBase::getMPI(), and hdf_archive::set_access_plist().

{ return myMPI; }

getName()

const std::string& getName ( ) const

inline

Definition at line 131 of file Communicate.h.

References myName.

Referenced by HDFWalkerOutput::dump(), VMC::run(), RMC::run(), DMC::run(), WalkerControl::start(), WalkerControlBase::start(), EstimatorManagerBase::start(), and EstimatorManagerNew::startDriverRun().

{ return myName; }

getNumGroups()

int getNumGroups ( ) const

inline

return the number of intra_comms which belong to the same group

Definition at line 123 of file Communicate.h.

References d_ngroups.

Referenced by QMCMain::QMCMain().

{ return d_ngroups; }

gsum() [1/4]

void gsum ( T &  )

inline

Definition at line 141 of file CommOperatorsMPI.h.

{
  throw std::runtime_error("Need specialization for Communicate::::gsum(T&)");
}

gsum() [2/4]

void gsum ( std::vector< int > &  g )

inline

Definition at line 886 of file CommOperatorsMPI.h.

References myMPI.

{
  std::vector<int> gt(g.size(), 0.0);
  MPI_Allreduce(&(g[0]), &(gt[0]), g.size(), MPI_INT, MPI_SUM, myMPI);
  g = gt;
}

gsum() [3/4]

void gsum ( std::vector< double > &  g )

inline

Definition at line 894 of file CommOperatorsMPI.h.

References myMPI.

{
  std::vector<double> gt(g.size(), 0.0);
  MPI_Allreduce(&(g[0]), &(gt[0]), g.size(), MPI_DOUBLE, MPI_SUM, myMPI);
  g = gt;
}

gsum() [4/4]

void gsum ( std::vector< std::complex< double >> &  g )

inline

Definition at line 910 of file CommOperatorsMPI.h.

References myMPI.

{
  std::vector<std::complex<double>> gt(g.size(), 0.0);
  MPI_Allreduce(&(g[0]), &(gt[0]), 2 * g.size(), MPI_DOUBLE, MPI_SUM, myMPI);
  g = gt;
}

initialize()

void initialize	(	int	argc,
		char **	argv
	)

Definition at line 107 of file Communicate.cpp.

Referenced by main().

{}

irecv() [1/3]

Communicate::request irecv ( int  source, int  tag, T &    )

inline

Definition at line 101 of file CommOperatorsMPI.h.

References CommunicatorTraits::MPI_REQUEST_NULL.

{
  throw std::runtime_error("Need specialization for irecv(int source, int tag, T& )");
  return MPI_REQUEST_NULL;
}

irecv() [2/3]

Communicate::request irecv ( int  source, int  tag, T *  , int  n  )

inline

Definition at line 115 of file CommOperatorsMPI.h.

References CommunicatorTraits::MPI_REQUEST_NULL.

{
  throw std::runtime_error("Need specialization for irecv(int source, int tag, T*, int )");
  return MPI_REQUEST_NULL;
}

irecv() [3/3]

Communicate::request irecv ( int  source, int  tag, std::vector< double > &  g  )

inline

Definition at line 771 of file CommOperatorsMPI.h.

References myMPI.

{
  request r;
  MPI_Irecv(&(g[0]), g.size(), MPI_DOUBLE, source, tag, myMPI, &r);
  return r;
}

isend() [1/3]

Communicate::request isend ( int  dest, int  tag, T &    )

inline

Definition at line 108 of file CommOperatorsMPI.h.

References CommunicatorTraits::MPI_REQUEST_NULL.

{
  throw std::runtime_error("Need specialization for isend(int source, int tag, T& )");
  return MPI_REQUEST_NULL;
}

isend() [2/3]

Communicate::request isend ( int  dest, int  tag, T *  , int  n  )

inline

Definition at line 122 of file CommOperatorsMPI.h.

References CommunicatorTraits::MPI_REQUEST_NULL.

{
  throw std::runtime_error("Need specialization for isend(int source, int tag, T*, int )");
  return MPI_REQUEST_NULL;
}

isend() [3/3]

Communicate::request isend ( int  dest, int  tag, std::vector< double > &  g  )

inline

Definition at line 763 of file CommOperatorsMPI.h.

References myMPI.

{
  request r;
  MPI_Isend(&(g[0]), g.size(), MPI_DOUBLE, dest, tag, myMPI, &r);
  return r;
}

isGroupLeader()

bool isGroupLeader ( )

inline

return true if the current MPI rank is the group lead

Definition at line 134 of file Communicate.h.

References d_mycontext.

Referenced by HybridRepSetReader< SA >::create_atomic_centers_Gspace(), HybridRepSetReader< SA >::initialize_hybrid_pio_gather(), and SplineSetReader< typename SA::SplineBase >::initialize_spline_pio_gather().

{ return d_mycontext == 0; }

NodeComm()

Communicate NodeComm

(

)

const

provide a node/shared-memory communicator from current (parent) communicator

Definition at line 109 of file Communicate.cpp.

Referenced by main(), and QMCMain::QMCMain().

{return Communicate{};}

rank()

int rank ( ) const

inline

return the rank

Definition at line 116 of file Communicate.h.

References d_mycontext.

Referenced by QMCDriverNew::adjustGlobalWalkerCount(), EinsplineSetBuilder::AnalyzeTwists2(), barrier_and_abort(), bcast(), EinsplineSetBuilder::BroadcastOrbitalInfo(), HamiltonianFactory::build(), SPOSetBuilderFactory::buildSPOSetCollection(), HDFWalkerInput_0_4::checkOptions(), LCAOrbitalBuilder::createBasisSetH5(), QMCDriverFactory::createQMCDriver(), LCAOrbitalBuilder::createSPOSetFromXML(), EinsplineSpinorSetBuilder::createSPOSetFromXML(), EinsplineSetBuilder::createSPOSetFromXML(), EstimatorManagerNew::EstimatorManagerNew(), LCAOrbitalBuilder::EvalPeriodicImagePhaseFactors(), OrbitalImages::evaluate(), qmcplusplus::generateCuspInfo(), QMCState::initialize(), BsplineReader::initialize_spo2band(), QMCDriverNew::initializeQMC(), SimpleFixedNodeBranch::initWalkerController(), DiracDeterminant< DU_TYPE >::invertPsiM(), MPIObjectBase::is_manager(), EstimatorManagerBase::is_manager(), LCAOrbitalBuilder::loadBasisSetFromH5(), LCAOSpinorBuilder::loadMO(), LCAOrbitalBuilder::loadMO(), main(), RandomNumberControl::make_children(), RandomNumberControl::make_seeds(), EstimatorManagerNew::makeBlockAverages(), QMCDriverNew::measureImbalance(), EinsplineSetBuilder::OccupyBands(), EinsplineSetBuilder::OccupyBands_ESHDF(), ReadFileBuffer::open_file(), TraceManager::open_hdf_file(), WalkerLogManager::openHDFFile(), SetupDMCTest::operator()(), SetupSFNBranch::operator()(), TimerManager< qmcplusplus::TimerType< CLOCK > >::output_timing(), ProjectData::previousRoot(), TimerManager< qmcplusplus::TimerType< CLOCK > >::print(), TimerManager< qmcplusplus::TimerType< CLOCK > >::print_flat(), TimerManager< qmcplusplus::TimerType< CLOCK > >::print_stack(), QMCFixedSampleLinearOptimize::processOptXML(), QMCFixedSampleLinearOptimizeBatched::processOptXML(), HDFWalkerInputManager::put(), RandomNumberControl::put(), QMCCostFunctionBase::put(), GaussianCombo< T >::putBasisGroupH5(), LCAOSpinorBuilder::putFromH5(), LCAOrbitalBuilder::putFromH5(), LCAOrbitalBuilder::putPBCFromH5(), QMCDriver::putWalkers(), QMCCostFunctionBase::QMCCostFunctionBase(), MPIObjectBase::rank(), ReadFileBuffer::read_contents(), HDFWalkerInput_0_4::read_hdf5(), HDFWalkerInput_0_4::read_hdf5_scatter(), RandomNumberControl::read_parallel(), HDFWalkerInput_0_4::read_phdf5(), RandomNumberControl::read_rank_0(), EinsplineSetBuilder::ReadGvectors_ESHDF(), EstimatorManagerNew::reduceOperatorEstimators(), QMCCostFunctionBase::Report(), QMCCostFunctionBase::reportParameters(), QMCCostFunctionBase::reportParametersH5(), UnifiedDriverWalkerControlMPITest::reportWalkersPerRank(), ProjectData::reset(), ReadFileBuffer::reset(), VMC::run(), RMC::run(), DMC::run(), WaveFunctionTester::run(), VMCBatched::run(), DMCBatched::run(), WaveFunctionTester::runDerivNLPPTest(), WaveFunctionTester::runZeroVarianceTest(), hdf_archive::set_access_plist(), EinsplineSetBuilder::set_metadata(), EstimatorManagerBase::setCommunicator(), QMCDriver::setWalkerOffsets(), QMCDriverNew::setWalkerOffsets(), EstimatorManagerBase::start(), EstimatorManagerNew::startDriverRun(), WalkerControl::syncFutureWalkersPerRank(), MCPopulation::syncWalkersPerRank(), qmcplusplus::TEST_CASE(), QMCDriverNewTestWrapper::testAdjustGlobalWalkerCount(), EstimatorManagerNewTest::testMakeBlockAverages(), UnifiedDriverWalkerControlMPITest::UnifiedDriverWalkerControlMPITest(), WalkerControlBase::WalkerControlBase(), HDFWalkerOutput::write_configuration(), RandomNumberControl::write_parallel(), RandomNumberControl::write_rank_0(), and EstimatorManagerNew::writeOperatorEstimators().

{ return d_mycontext; }

reduce() [1/8]

void reduce ( T &  )

inline

Definition at line 35 of file CommOperatorsMPI.h.

Referenced by EstimatorManagerBase::collectBlockAverages().

{
  throw std::runtime_error("Need specialization for reduce(T&)");
}

reduce() [2/8]

void reduce ( T *  restrict, T *  restrict, int  n  )

inline

Definition at line 41 of file CommOperatorsMPI.h.

{
  throw std::runtime_error("Need specialization for reduce(T* restrict , T* restrict, int n)");
}

reduce() [3/8]

void reduce ( std::vector< float > &  g )

inline

Definition at line 379 of file CommOperatorsMPI.h.

References d_mycontext, and myMPI.

{
  std::vector<float> gt(g.size(), 0.0f);
  MPI_Reduce(&(g[0]), &(gt[0]), g.size(), MPI_FLOAT, MPI_SUM, 0, myMPI);
  if (!d_mycontext)
    g = gt;
}

reduce() [4/8]

void reduce ( std::vector< double > &  g )

inline

Definition at line 388 of file CommOperatorsMPI.h.

References d_mycontext, and myMPI.

{
  std::vector<double> gt(g.size(), 0.0);
  MPI_Reduce(&(g[0]), &(gt[0]), g.size(), MPI_DOUBLE, MPI_SUM, 0, myMPI);
  if (!d_mycontext)
    g = gt;
}

reduce() [5/8]

void reduce ( std::vector< int > &  g )

inline

Definition at line 397 of file CommOperatorsMPI.h.

References d_mycontext, and myMPI.

{
  std::vector<int> gt(g.size(), 0.0);
  MPI_Reduce(&(g[0]), &(gt[0]), g.size(), MPI_INT, MPI_SUM, 0, myMPI);
  if (!d_mycontext)
    g = gt;
}

reduce() [6/8]

void reduce ( std::vector< long > &  g )

inline

Definition at line 406 of file CommOperatorsMPI.h.

References d_mycontext, and myMPI.

{
  std::vector<long> gt(g.size(), 0.0);
  MPI_Reduce(&(g[0]), &(gt[0]), g.size(), MPI_LONG, MPI_SUM, 0, myMPI);
  if (!d_mycontext)
    g = gt;
}

reduce() [7/8]

void reduce ( int *restrict  g, int *restrict  res, int  n  )

inline

Definition at line 415 of file CommOperatorsMPI.h.

References myMPI, and qmcplusplus::n.

{
  MPI_Reduce(g, res, n, MPI_INT, MPI_SUM, 0, myMPI);
}

reduce() [8/8]

void reduce ( double *restrict  g, double *restrict  res, int  n  )

inline

Definition at line 421 of file CommOperatorsMPI.h.

References myMPI, and qmcplusplus::n.

{
  MPI_Reduce(g, res, n, MPI_DOUBLE, MPI_SUM, 0, myMPI);
}

reduce_in_place() [1/3]

void reduce_in_place ( T *  restrict, int  n  )

inline

Definition at line 47 of file CommOperatorsMPI.h.

Referenced by HybridRepSetReader< SA >::create_atomic_centers_Gspace().

{
  throw std::runtime_error("Need specialization for reduce_in_place(T* restrict, int n)");
}

reduce_in_place() [2/3]

void reduce_in_place ( double *restrict  res, int  n  )

inline

Definition at line 427 of file CommOperatorsMPI.h.

References d_mycontext, myMPI, and qmcplusplus::n.

{
  if (!d_mycontext)
    MPI_Reduce(MPI_IN_PLACE, res, n, MPI_DOUBLE, MPI_SUM, 0, myMPI);
  else
    MPI_Reduce(res, NULL, n, MPI_DOUBLE, MPI_SUM, 0, myMPI);
}

reduce_in_place() [3/3]

void reduce_in_place ( float *restrict  res, int  n  )

inline

Definition at line 436 of file CommOperatorsMPI.h.

References d_mycontext, myMPI, and qmcplusplus::n.

{
  if (!d_mycontext)
    MPI_Reduce(MPI_IN_PLACE, res, n, MPI_FLOAT, MPI_SUM, 0, myMPI);
  else
    MPI_Reduce(res, NULL, n, MPI_FLOAT, MPI_SUM, 0, myMPI);
}

scatter()

void scatter ( T &  sb, T &  rb, int  dest = 0  )

inline

Definition at line 89 of file CommOperatorsMPI.h.

{
  throw std::runtime_error("Need specialization for scatter(T&, T&, int)");
}

scatterv() [1/2]

void scatterv ( T &  sb, T &  rb, IT &  counts, IT &  displ, int  source = 0  )

inline

Definition at line 95 of file CommOperatorsMPI.h.

{
  throw std::runtime_error("Need specialization for scatterv(T&, T&, IT&, IT&, int)");
}

scatterv() [2/2]

void scatterv ( std::vector< char > &  sb, std::vector< char > &  rb, std::vector< int > &  counts, std::vector< int > &  displ, int  source  )

inline

Definition at line 930 of file CommOperatorsMPI.h.

References myMPI.

{
  int ierr = MPI_Scatterv(&sb[0], &counts[0], &displ[0], MPI_CHAR, &rb[0], rb.size(), MPI_CHAR, source, myMPI);
}

send() [1/2]

void send ( int  dest, int  tag, T &    )

inline

Definition at line 65 of file CommOperatorsMPI.h.

{
  throw std::runtime_error("Need specialization for send(int, int, T& )");
}

send() [2/2]

void send ( int  dest, int  tag, std::vector< double > &  g  )

inline

Definition at line 757 of file CommOperatorsMPI.h.

References myMPI.

{
  MPI_Send(&(g[0]), g.size(), MPI_DOUBLE, dest, tag, myMPI);
}

set_world()

void set_world

(

)

setName() [1/2]

void setName ( const std::string &  aname )

inline

Definition at line 129 of file Communicate.h.

References myName.

Referenced by ProjectData::reset(), and qmcplusplus::TEST_CASE().

{ myName = aname; }

setName() [2/2]

void setName ( const char *  aname, int  alen  )

inline

Definition at line 130 of file Communicate.h.

References myName.

{ myName = std::string(aname, alen); }

setNodeID()

void setNodeID ( int  i )

inline

Definition at line 126 of file Communicate.h.

References d_mycontext.

{ d_mycontext = i; }

setNumNodes()

void setNumNodes ( int  n )

inline

Definition at line 127 of file Communicate.h.

References d_ncontexts, and qmcplusplus::n.

{ d_ncontexts = n; }

size()

int size ( void  ) const

inline

return the number of tasks

Definition at line 118 of file Communicate.h.

References d_ncontexts.

Referenced by QMCDriverNew::adjustGlobalWalkerCount(), EinsplineSetBuilder::BroadcastOrbitalInfo(), HDFWalkerInput_0_4::checkOptions(), EstimatorManagerBase::collectBlockAverages(), HybridRepSetReader< SA >::create_atomic_centers_Gspace(), QMCDriverFactory::createQMCDriver(), qmcplusplus::createWalkerController(), EstimatorManagerBaseTest::EstimatorManagerBaseTest(), EstimatorManagerNewTest::EstimatorManagerNewTest(), QMCMain::execute(), EstimatorManagerNewTest::fakeSomeOperatorEstimatorSamples(), HybridRepCenterOrbitals< SPLINEBASE::DataType >::gather_atomic_tables(), SplineC2R< ST >::gather_tables(), SplineR2R< ST >::gather_tables(), SplineC2C< ST >::gather_tables(), SplineC2COMPTarget< ST >::gather_tables(), SplineC2ROMPTarget< ST >::gather_tables(), qmcplusplus::generateCuspInfo(), SimpleFixedNodeBranch::initWalkerController(), main(), RandomNumberControl::make_children(), RandomNumberControl::make_seeds(), EstimatorManagerNew::makeBlockAverages(), QMCDriverNew::measureImbalance(), qmcplusplus::mpiTestFunctionWrapped(), TraceManager::open_hdf_file(), WalkerLogManager::openHDFFile(), SetupDMCTest::operator()(), output_hardware_info(), ProjectData::previousRoot(), TimerManager< qmcplusplus::TimerType< CLOCK > >::print_flat(), QMCFixedSampleLinearOptimizeBatched::processOptXML(), VMC::put(), CSVMC::put(), RandomNumberControl::put(), QMCDriver::putWalkers(), QMCMain::QMCMain(), HDFWalkerInput_0_4::read_hdf5(), HDFWalkerInput_0_4::read_hdf5_scatter(), RandomNumberControl::read_parallel(), HDFWalkerInput_0_4::read_phdf5(), RandomNumberControl::read_rank_0(), UnifiedDriverWalkerControlMPITest::reportWalkersPerRank(), ProjectData::reset(), VMC::run(), CSVMC::run(), hdf_archive::set_access_plist(), EstimatorManagerBase::setCollectionMode(), EstimatorManagerBase::setCommunicator(), QMCDriver::setWalkerOffsets(), QMCDriverNew::setWalkerOffsets(), WalkerControl::syncFutureWalkersPerRank(), MCPopulation::syncWalkersPerRank(), RandomNumberControl::test(), qmcplusplus::TEST_CASE(), QMCDriverNewTestWrapper::testAdjustGlobalWalkerCount(), UnifiedDriverWalkerControlMPITest::UnifiedDriverWalkerControlMPITest(), WalkerControlBase::WalkerControlBase(), HDFWalkerOutput::write_configuration(), RandomNumberControl::write_parallel(), and RandomNumberControl::write_rank_0().

{ return d_ncontexts; }

Member Data Documentation

d_groupid

int d_groupid

protected

Group ID of the current communicator in the parent communicator.

Definition at line 222 of file Communicate.h.

Referenced by getGroupID().

d_mycontext

int d_mycontext

protected

Rank.

Definition at line 218 of file Communicate.h.

Referenced by gatherv_in_place(), isGroupLeader(), rank(), reduce(), reduce_in_place(), and setNodeID().

d_ncontexts

int d_ncontexts

protected

Size.

Definition at line 220 of file Communicate.h.

Referenced by allreduce(), setNumNodes(), and size().

d_ngroups

int d_ngroups

protected

Total number of groups in the parent communicator.

Definition at line 224 of file Communicate.h.

Referenced by getNumGroups().

GroupLeaderComm

std::unique_ptr<Communicate> GroupLeaderComm

protected

Group Leader Communicator.

Definition at line 226 of file Communicate.h.

Referenced by Communicate(), and getGroupLeaderComm().

myMPI

mpi_comm_type myMPI

protected

Raw communicator.

Currently it is only owned by Communicate which manages its creation and destruction After switching to mpi3::communicator, myMPI is only a reference to the raw communicator owned by mpi3::communicator

Definition at line 214 of file Communicate.h.

Referenced by allgather(), allgatherv(), allreduce(), bcast(), gather(), gatherv(), gatherv_in_place(), getMPI(), gsum(), irecv(), isend(), reduce(), reduce_in_place(), scatterv(), and send().

myName

std::string myName

protected

Communicator name.

Definition at line 216 of file Communicate.h.

Referenced by getName(), and setName().

---

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Message/Communicate.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Message/CommOperatorsMPI.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Message/CommOperatorsSingle.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Message/Communicate.cpp