madness::World Class Reference

A parallel world class. More...

#include <world.h>

Inheritance diagram for madness::World:

Collaboration diagram for madness::World:

Classes
struct	hashuniqueT
struct	hashvoidp
struct	MpiRequestTester

Public Member Functions
	World (const SafeMPI::Intracomm &comm, bool fence=true)
	Constructs a World from a communicator. More...
	~World ()
void	args (int argc, char **argv)
	Processes command line arguments. More...
void	clear_user_state ()
	Clears the user-defined state. More...
double	drand ()
	Returns a CRUDE, LOW-QUALITY, random number (real) uniformly distributed in [0,1). More...
void *	get_user_state ()
	Returns a pointer to the user-managed local state set by set_user_state(). More...
unsigned long	id () const
template<typename T >
std::optional< uniqueidT >	id_from_ptr (std::shared_ptr< T > &ptr) const
	Look up a unique ID from a local pointer. More...
template<typename T >
std::optional< uniqueidT >	id_from_ptr (T *ptr) const
	Look up an ID from a local pointer. More...
uniqueidT	make_unique_obj_id ()
	Creates a new universe-wide unique ID for objects created in this World. No comms. More...
uniqueidT	next_unique_obj_id () const
	Reports the next universe-wide unique ID generated by make_unique_obj_id() objects created in this World. No comms. More...
ProcessID	nproc () const
	Returns the number of processes in this World (same as MPI_Comm_size()). More...
template<typename T >
std::optional< T * >	ptr_from_id (uniqueidT id) const
	Look up a local pointer from a world-wide unique ID. More...
int	rand ()
	Returns a CRUDE, LOW-QUALITY, random number (integer) uniformly distributed in [0,2**24). More...
ProcessID	random_proc ()
	Returns a random process number; that is, an integer in [0,world.size()). More...
ProcessID	random_proc_not_me ()
	Returns a random process number [0,world.size()) that is not the calling process. More...
ProcessID	rank () const
	Returns the process rank in this World (same as MPI_Comm_rank()). More...
template<typename T >
uniqueidT	register_ptr (T *ptr)
	Associate a local pointer with a universe-wide unique ID. More...
void	set_user_state (void *state)
	Sets the user-managed local state. More...
template<typename T >
std::shared_ptr< T >	shared_ptr_from_id (uniqueidT id) const
	Look up a local pointer from a world-wide unique ID. More...
ProcessID	size () const
	Returns the number of processes in this World (same as MPI_Comm_size()). More...
void	srand (unsigned long seed=0ul)
	Crude seed function for random number generation. More...
void	unregister_ptr (const uniqueidT id)
	Unregister a global object via its the unique ID. More...

Static Public Member Functions
template<typename Probe >
static void	await (const Probe &probe, bool dowork=true, bool sleep=false)
	Gracefully wait for a condition to become true. More...
static void	await (SafeMPI::Request &request, bool dowork=true)
	Wait for a MPI request to complete. More...
static bool	exists (World *world)
	Check if the World exists in the registry. More...
static World *	find_instance (const SafeMPI::Intracomm &comm)
	Find the World (if it exists) corresponding to the given communicator. More...
static World &	get_default ()
	Default World object accessor. More...
static bool	is_default (const SafeMPI::Intracomm &comm)
	Checks if the default World object corresponds to the given Intracomm. More...
static World *	world_from_id (std::uint64_t id)
	Convert a World ID to a World pointer. More...

Public Attributes
WorldAmInterface &	am
	AM interface. More...
WorldGopInterface &	gop
	Global operations. More...
WorldMpiInterface &	mpi
	MPI interface. More...
WorldTaskQueue &	taskq
	Task queue. More...

Private Types
typedef madness::ConcurrentHashMap< uniqueidT, void *, hashuniqueT >	map_id_to_ptrT
typedef madness::ConcurrentHashMap< void *, uniqueidT, hashvoidp >	map_ptr_to_idT

Static Private Member Functions
static void	initialize_world_id_range (int global_rank)
static std::uint64_t	next_world_id ()

Private Attributes
std::uint64_t	_id
	Universe wide unique ID of this world. More...
map_id_to_ptrT	map_id_to_ptr
map_ptr_to_idT	map_ptr_to_id
	inverse of map_id_to_ptr More...
unsigned int	myrand_next
	State of crude internal random number generator. More...
unsigned long	obj_id
	Counter for generating unique IDs within this world. More...
void *	user_state
	Holds a user-defined and managed local state. More...

Static Private Attributes
static World *	default_world = nullptr
	Default world. More...
static std::pair< std::uint64_t, std::uint64_t >	world_id__next_last {}
	Unique {next, last} world IDs to be used by this rank. More...
static std::list< World * >	worlds
	Maintains list of active worlds, EXCLUDES default_world. More...

Friends
void	finalize ()
	Call this once at the very end of your main program instead of MPI_Finalize(). More...
World &	initialize (int &, char **&, const SafeMPI::Intracomm &, int, bool)
class	WorldAmInterface
class	WorldGopInterface

Additional Inherited Members
Private Member Functions inherited from NO_DEFAULTS
	NO_DEFAULTS ()
	NO_DEFAULTS (const NO_DEFAULTS &)=delete
	NO_DEFAULTS (NO_DEFAULTS &&)=delete
NO_DEFAULTS &	operator= (const NO_DEFAULTS &)=delete
NO_DEFAULTS &	operator= (NO_DEFAULTS &&)=delete

Detailed Description

A parallel world class.

World wraps a MPI communicator. Multiple worlds with different communicators can co-exist.

Here we use Pimpl to both hide implementation details and also to partition the namespace for users as world.mpi, world.am, etc. We also embed a reference to this instance in the am and task instances so that they have access to everything.

The downside is we cannot do much of anything here without using wrapper functions to forward the calls to the hidden class methods.

Member Typedef Documentation

map_id_to_ptrT

typedef madness::ConcurrentHashMap<uniqueidT, void *, hashuniqueT> madness::World::map_id_to_ptrT

private

Todo:

Brief description of typedef needed.

map_ptr_to_idT

typedef madness::ConcurrentHashMap<void *, uniqueidT, hashvoidp> madness::World::map_ptr_to_idT

private

Todo:

Brief description of typedef needed.

Constructor & Destructor Documentation

World()

madness::World::World	(	const SafeMPI::Intracomm &	comm,
		bool	fence = true
	)

Constructs a World from a communicator.

This function does not check if another World exists that uses the same communicator. Use instance() to check this.

Parameters

[in]	comm	The communicator.
[in]	fence	if true, will synchronize ranks before exiting; setting to false removes the extra synchronization but may cause premature arrival of RMI messages that refer to this world while it's being registered

References _id, am, SafeMPI::Intracomm::Barrier(), madness::WorldMpiInterface::Bcast(), mpi, next_world_id(), rank(), madness::WorldAmInterface::worldid, and worlds.

~World()

madness::World::~World

(

)

References _id, am, gop, mpi, taskq, and worlds.

Member Function Documentation

args()

void madness::World::args	(	int	argc,
		char **	argv
	)

Processes command line arguments.

Mostly intended for World test codes, but also provides the -dx option to start x debugger.

Parameters

[in]	argc	The number of command-line arguments.
[in,out]	argv	The command-line arguments.

References madness::arg(), and madness::xterm_debug().

Referenced by main().

await() [1/2]

template<typename Probe >

static void madness::World::await ( const Probe &  probe, bool  dowork = true, bool  sleep = false  )

inlinestatic

Gracefully wait for a condition to become true.

In the mean time, execute any tasks in the queue.

Todo:

Descriptions needed.

Template Parameters

Probe

An object that, when called, returns the status.

Parameters

[in]	probe	The conditional's test.
	dowork	Work while waiting - default is true
	sleep	Sleep instead of spin while waiting - default is false

References madness::ThreadPool::await().

await() [2/2]

static void madness::World::await ( SafeMPI::Request &  request, bool  dowork = true  )

inlinestatic

Wait for a MPI request to complete.

Todo:

Descriptions needed.

Parameters

[in,out]	request	The MPI request on which to wait.
	dowork	Work while waiting - default is true

References madness::ThreadPool::await().

Referenced by madness::WorldGopInterface::broadcast(), madness::WorldGopInterface::concat0(), madness::SystolicMatrixAlgorithm< T >::cycle(), madness::WorldGopInterface::fence_impl(), madness::FutureImpl< T >::get(), main(), and madness::WorldGopInterface::reduce().

clear_user_state()

void madness::World::clear_user_state ( )

inline

Clears the user-defined state.

This has the same effect as set_user_state(0).

References user_state.

drand()

double madness::World::drand ( )

inline

Returns a CRUDE, LOW-QUALITY, random number (real) uniformly distributed in [0,1).

Each process has a distinct seed for the generator.

Returns

The random number.

Todo:

Since we're switching to C++11, would it be worth using the new C++11 random number generation capabilities?

References rand().

Referenced by Node::random_insert(), and test11().

exists()

static bool madness::World::exists ( World *  world )

inlinestatic

Check if the World exists in the registry.

Parameters

[in]

world

pointer to a World object

Returns

true if world exists

References default_world, and worlds.

Referenced by madness::WorldObject< Derived >::~WorldObject().

find_instance()

static World* madness::World::find_instance ( const SafeMPI::Intracomm &  comm )

inlinestatic

Find the World (if it exists) corresponding to the given communicator.

Parameters

[in]

comm

The communicator.

Returns

Pointer to the World that was constructed from comm; if such a World does not exist, return 0.

References madness::WorldMpiInterface::comm(), default_world, mpi, and worlds.

Referenced by is_default().

get_default()

static World& madness::World::get_default ( )

inlinestatic

Default World object accessor.

This function returns a reference to the default world object; this is the same World object that is returned by madness::initialize().

Returns

A reference to the default World.

Exceptions

madness::Exception

if the MADNESS_DISABLE_WORLD_GET_DEFAULT preprocessor macro is defined

References default_world, MADNESS_ASSERT, and MADNESS_EXCEPTION.

Referenced by allocator(), madness::FunctionDefaults< NDIM >::get_pmap(), and TEST_CASE().

get_user_state()

void* madness::World::get_user_state ( )

inline

Returns a pointer to the user-managed local state set by set_user_state().

Returns

A pointer to the user-managed local state; NULL if set_user_state() has not been invoked.

References user_state.

id()

unsigned long madness::World::id ( ) const

inline

Returns the system-wide unique integer ID of this World.

Returns

The system-wide unique integer ID of this World.

References _id.

Referenced by madness::archive::ContainerRecordInputArchive::ContainerRecordInputArchive(), madness::MacroTask< taskT >::MacroTask(), madness::WorldGopInterface::all_reduce(), madness::WorldGopInterface::bcast(), madness::SeparatedConvolution< Q, NDIM >::combine(), madness::Cloud::do_load(), madness::Function< T, NDIM >::gaxpy(), madness::WorldGopInterface::lazy_sync(), madness::Cloud::load_from_cache(), madness::Cloud::load_tuple(), main(), madness::WorldGopInterface::reduce(), register_ptr(), madness::MacroTask< taskT >::MacroTaskInternal::run(), madness::MacroTaskQ::run_all(), simple_example(), and madness::archive::ArchiveStoreImpl< Archive, World * >::store().

id_from_ptr() [1/2]

template<typename T >

std::optional<uniqueidT> madness::World::id_from_ptr ( std::shared_ptr< T > &  ptr ) const

inline

Look up a unique ID from a local pointer.

Template Parameters

T	The type of the data to look up.

Parameters

[in]

ptr

The local pointer.

Returns

Optional containing the unique ID, if the pointer is registered, or a null optional, if the pointer is not registered.

References id_from_ptr().

id_from_ptr() [2/2]

template<typename T >

std::optional<uniqueidT> madness::World::id_from_ptr ( T *  ptr ) const

inline

Look up an ID from a local pointer.

Template Parameters

T	The type of the data to look up.

Parameters

[in]

ptr

The local pointer.

Returns

Optional containing the unique ID if the pointer is registered, or a null optional if the pointer is not registered.

References madness::ConcurrentHashMap< keyT, valueT, hashfunT >::find(), and map_ptr_to_id.

Referenced by id_from_ptr(), and test6().

initialize_world_id_range()

void madness::World::initialize_world_id_range ( int  global_rank )

staticprivate

initializes the value of world_id__next_last to {global_rank*2^32, (global_rank+1)*2^32-1}

Parameters

global_rank

rank of this process in COMM_WORLD

References world_id__next_last.

is_default()

static bool madness::World::is_default ( const SafeMPI::Intracomm &  comm )

inlinestatic

Checks if the default World object corresponds to the given Intracomm.

Parameters

[in]

comm

The communicator.

Returns

true if comm is the default World object's communicator

See also

World::get_default()

References default_world, and find_instance().

make_unique_obj_id()

uniqueidT madness::World::make_unique_obj_id ( )

inline

Creates a new universe-wide unique ID for objects created in this World. No comms.

You should consider using register_ptr(), unregister_ptr(), id_from_ptr(), or ptr_from_id() rather than using this directly.

Currently relies on this being called in the same order on every process within the current World in order to avoid synchronization.

Unique IDs are created by increasing static counter. The value obj_id=0 is invalid.

Returns

A new universe-wide unique ID for objects created in this World.

Warning

This is not re-entrant, should be called from a single (typically, main) thread

References _id, and obj_id.

Referenced by register_ptr().

next_unique_obj_id()

uniqueidT madness::World::next_unique_obj_id ( ) const

inline

Reports the next universe-wide unique ID generated by make_unique_obj_id() objects created in this World. No comms.

Returns

A the next universe-wide unique ID for objects created in this World.

Warning

This is not re-entrant, should be called from a single (typically, main) thread

References _id, and obj_id.

next_world_id()

std::uint64_t madness::World::next_world_id ( )

staticprivate

Returns

next unique World id

References MADNESS_ASSERT, and world_id__next_last.

Referenced by World().

nproc()

ProcessID madness::World::nproc ( ) const

inline

Returns the number of processes in this World (same as MPI_Comm_size()).

Returns

The number of processes in this World.

References mpi, and madness::WorldMpiInterface::nproc().

Referenced by Foo::Foo(), and test6().

ptr_from_id()

template<typename T >

std::optional<T*> madness::World::ptr_from_id ( uniqueidT  id ) const

inline

Look up a local pointer from a world-wide unique ID.

Template Parameters

T	The type of the data to look up.

Parameters

[in]

id

The unique ID of the data.

Returns

The local pointer (can be nullptr if id has been deregistered and NDEBUG is not #defined); if id has not been registered then returns null optional

References madness::ConcurrentHashMap< keyT, valueT, hashfunT >::find(), map_id_to_ptr, and T().

Referenced by madness::WorldObject< Derived >::~WorldObject(), madness::archive::ArchiveLoadImpl< Archive, const FunctionImpl< T, NDIM > * >::load(), madness::archive::ArchiveLoadImpl< Archive, FunctionImpl< T, NDIM > * >::load(), madness::madness::archive::ArchiveLoadImpl< Archive, std::shared_ptr< ScalarResult< T > > >::load(), madness::archive::ArchiveLoadImpl< BufferInputArchive, const WorldObject< Derived > * >::load(), madness::archive::ArchiveLoadImpl< BufferInputArchive, WorldObject< Derived > * >::load(), madness::scalar_result_shared_ptr_vector(), and test6().

rand()

int madness::World::rand ( )

inline

Returns a CRUDE, LOW-QUALITY, random number (integer) uniformly distributed in [0,2**24).

Each process has a distinct seed for the generator.

Returns

The random number.

Todo:

Since we're switching to C++11, would it be worth using the new C++11 random number generation capabilities?

References myrand_next.

Referenced by drand(), main(), random_proc(), random_proc_not_me(), and srand().

random_proc()

ProcessID madness::World::random_proc ( )

inline

Returns a random process number; that is, an integer in [0,world.size()).

Returns

The random process number.

References rand(), and size().

Referenced by madness::FunctionImpl< T, NDIM >::apply(), and madness::FunctionImpl< T, NDIM >::apply_source_driven().

random_proc_not_me()

ProcessID madness::World::random_proc_not_me ( )

inline

Returns a random process number [0,world.size()) that is not the calling process.

It doesn't make any sense to call this with just one process, but just in case, this returns -1 in the hope that you won't actually use the result.

Returns

The random process number, or -1.

References p(), rand(), rank(), and size().

rank()

ProcessID madness::World::rank ( ) const

inline

Returns the process rank in this World (same as MPI_Comm_rank()).

Returns

The process rank in this World.

References mpi, and madness::WorldMpiInterface::rank().

Referenced by madness::AC< NDIM >::AC(), madness::AdhocNuclearCorrelationFactor::AdhocNuclearCorrelationFactor(), madness::BSHApply< T, NDIM >::BSHApply(), Calculation::Calculation(), DF::DF(), madness::DFT< T, NDIM >::DFT(), EwaldNuclearPotentialFunctor::EwaldNuclearPotentialFunctor(), madness::F12Potentials::F12Potentials(), madness::GaussSlater::GaussSlater(), madness::GradientalGaussSlater::GradientalGaussSlater(), madness::Group::Impl::Impl(), madness::LinearSlater::LinearSlater(), madness::Molecule::Molecule(), madness::MP2::MP2(), madness::MP2::Parameters::Parameters(), madness::poly4erfc::poly4erfc(), madness::Polynomial< N >::Polynomial(), madness::PseudoNuclearCorrelationFactor::PseudoNuclearCorrelationFactor(), madness::SCF::SCF(), madness::Slater::Slater(), World(), madness::Znemo::Znemo(), A(), A2(), madness::PNO::adaptive_solver(), madness::MacroTaskQ::add_tasks(), madness::WorldGopInterface::all_reduce(), madness::Znemo::analyze(), madness::TDHF::analyze(), madness::SCF::analyze_vectors(), madness::apply(), madness::FunctionImpl< T, NDIM >::apply_1d_realspace_push(), madness::Solver< T, NDIM >::apply_potential(), madness::SCF::apply_potential(), madness::F12Potentials::apply_regularized_potential(), apply_U_mix(), apply_U_ncf(), madness::MP2::asymmetry(), madness::WorldGopInterface::barrier(), madness::WorldGopInterface::bcast(), madness::WorldGopInterface::bcast_internal(), madness::FunctionImpl< T, NDIM >::binaryXX(), madness::WorldGopInterface::broadcast_serializable(), madness::BSHOperator(), madness::BSHOperatorPtr(), madness::Solver< T, NDIM >::build_fock_matrix(), Calculation::calc_optimal_coeffs(), check(), madness::ACParameters< NDIM >::check(), madness::NemoBase::check_convergence(), madness::LowRankFunction< T, NDIM, LDIM >::check_orthonormality(), madness::PNO::check_orthonormality(), check_vector(), chin_chen(), madness::archive::ContainerRecordOutputArchive::close(), compare(), madness::Nemo::compute_all_cphf(), madness::Znemo::compute_energy(), madness::OEP::compute_energy(), compute_energy(), madness::Nemo::compute_energy_regularized(), compute_energy_simple(), compute_energy_with_U(), madness::F12Potentials::compute_f12_energies(), madness::F12Potentials::compute_f12_pair_energy(), madness::PNO::compute_fluctuation_matrix(), madness::F12Potentials::compute_fQc_integrals_ij(), madness::F12Potentials::compute_fQU_integrals(), madness::MP2::compute_gQf(), compute_madelung_energy(), compute_madelung_energy_PWSCF(), compute_R2f2_psi(), madness::Solver< T, NDIM >::compute_residual(), madness::SCF::compute_residual(), madness::Znemo::compute_residuals(), madness::Solver< T, NDIM >::compute_rho(), madness::Solver< T, NDIM >::compute_rho_slow(), converge(), converge2s(), madness::F12Potentials::convolve_with_fU(), madness::PotentialManager::core_projection(), madness::create_nuclear_correlation_factor(), madness::MacroTaskQ::create_worlds(), TTT::dave(), madness::SCF::derivatives(), DF::DF_load_balance(), DF::diagonalize(), madness::SCF::dipole(), dipole_generator(), madness::FunctionImpl< T, NDIM >::do_apply_kernel(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::do_print_timings(), madness::Solver< T, NDIM >::do_rhs(), madness::Solver< T, NDIM >::do_rhs_simple(), madness::Znemo::do_step_restriction(), madness::SCF::do_step_restriction(), MiniDFT::doit(), doit(), doplot(), madness::Znemo::timer::end(), molresponse::end_timer(), END_TIMER(), madness::Solver< T, NDIM >::END_TIMER(), madness::END_TIMER(), madness::MP2::END_TIMER(), energy(), madness::CC2::enforce_core_valence_separation(), madness::CCConvolutionOperator< T, NDIM >::error(), madness::CCParameters::error(), GygiPot::ESP(), DF::exchange(), exchange_anchor_test(), madness::archive::BaseParallelArchive< Archive >::exists(), madness::WorldGopInterface::fence_impl(), madness::QCCalculationParametersBase::file_exists(), fixphases(), madness::DerivativeBase< T, NDIM >::forward_do_diff1(), madness::FunctionImpl< T, NDIM >::forward_traverse(), madness::FunctionImpl< T, NDIM >::gaxpy_ext(), madness::FunctionImpl< T, NDIM >::gaxpy_inplace_reconstructed(), generate_G_vectors(), generate_R_vectors(), madness::MP2::get_fock_matrix(), madness::MP2::get_residue(), madness::MacroTaskQ::get_scheduled_task_number(), madness::MacroTaskQ::get_scheduled_task_number_local(), madness::GMRES(), madness::Nemo::gradient(), madness::Znemo::gradient(), gradPbarA(), ground_exchange(), madness::SCF::group_orbital_sets(), madness::BasisFunctions::guess_virtuals_from_file(), madness::BasisFunctions::guess_virtuals_internal(), madness::BasisFunctions::guess_with_exop(), madness::hartree_product(), madness::FunctionImpl< T, NDIM >::hartree_product(), madness::Nemo::hessian(), madness::MP2::increment(), madness::CCPair::info(), madness::CCTimer::info(), madness::ElectronPair::info(), madness::CCFunction< T, NDIM >::info(), madness::CCParameters::information(), madness::Solver< T, NDIM >::init(), madness::Solver< T, NDIM >::initial_guess(), madness::SCF::initial_guess(), initial_guess(), initial_loadbal(), madness::SCFProtocol::initialize(), initialize_calc_params(), madness::CC2::initialize_pairs(), madness::PNO::initialize_pairs(), madness::CC2::initialize_singles(), madness::archive::BaseParallelArchive< Archive >::is_io_node(), madness::Znemo::iterate(), madness::OEP::iterate(), DF::iterate(), iterate(), iterate_excite(), iterate_ground(), madness::CC2::iterate_lrcc2_pairs(), madness::CC2::iterate_pair(), madness::PNO::iterate_pairs_internal(), madness::CC2::iterate_singles(), iterate_xy(), TTT::kate(), madness::LowRankFunction< T, NDIM, LDIM >::l2error(), madness::WorldGopInterface::lazy_sync_internal(), line_plot(), madness::LoadBalanceDeux< NDIM >::load_balance(), load_balance(), madness::load_coeffs(), madness::Cloud::load_from_cache(), madness::MP2::load_function(), madness::Nemo::load_function(), load_function(), madness::load_function(), madness::SCF::load_mos(), madness::CCPair::load_pair(), madness::ElectronPair::load_pair(), madness::GTHPseudopotential< Q >::load_pseudo_from_file(), madness::load_quadrature(), madness::OEP::load_restartdata(), loadbal(), madness::detail::WorldPtr< T >::local_rank(), madness::Localizer::localize_boys(), madness::Localizer::localize_new(), main(), madness::main(), madness::Solver< T, NDIM >::make_bsh_operators(), madness::SCF::make_bsh_operators(), DF::make_component_lineplots(), DF::make_component_logplots(), DF::make_density_lineplots(), DF::make_fermi_potential(), DF::make_gaussian_potential(), madness::Zcis::make_guess(), madness::TDHF::make_guess_from_initial_diagonalization(), madness::Solver< T, NDIM >::make_nuclear_charge_density_impl(), madness::Solver< T, NDIM >::make_nuclear_potential(), madness::MP2::make_Uphi0(), madness::TDHF::make_virtuals(), madness::FunctionImpl< T, NDIM >::make_Vphi_only(), MiniDFT::makeao(), makeao(), moments(), madness::FunctionImpl< T, NDIM >::multiply(), madness::FunctionImpl< T, NDIM >::mulXX(), madness::FunctionImpl< T, NDIM >::mulXXvec(), madness::FunctionImpl< T, NDIM >::mulXXveca(), madness::archive::BaseParallelArchive< Archive >::my_io_node(), madness::archive::BaseParallelArchive< Archive >::open(), madness::FunctionImpl< T, NDIM >::recursive_apply_op< opT, LDIM >::operator()(), madness::FunctionImpl< T, NDIM >::recursive_apply_op2< opT >::operator()(), MicroTask::operator()(), BoysLocalization::operator()(), madness::CCMessenger::operator<<(), madness::SCF::orthonormalize(), madness::smooth< T, NDIM >::output(), madness::CCMessenger::output(), madness::SCF::output_calc_info_schema(), madness::CC2::output_calc_info_schema(), Pbar(), PbarA(), SurfaceMoleculeInteraction::perturbed_molecular_pot(), madness::plot_along(), madness::plot_line(), Calculation::plot_p(), madness::plot_plane(), madness::plotdx(), madness::plotpovray(), madness::plotvtk_begin(), madness::plotvtk_data(), madness::plotvtk_end(), madness::PNO::pno_compress(), preloadbal(), madness::CCTimer::print(), madness::MyTimer::print(), madness::timer::print(), madness::ACParameters< NDIM >::print(), madness::WorldProfile::print(), madness::WorldDCPmapInterface< keyT >::print_data_sizes(), FermiNucDistFunctor::print_details(), madness::Solver< T, NDIM >::print_fock_matrix_eigs(), madness::MolecularOrbitals< T, NDIM >::print_frozen_orbitals(), madness::projector_irrep::print_info(), print_info(), DF::print_molecule(), madness::F12Potentials::print_pair_energies(), madness::Solver< T, NDIM >::print_potential_matrix_eigs(), madness::print_seq(), madness::Cloud::print_size(), madness::print_size(), DF::print_sizes(), madness::print_stats(), print_stats(), print_stats_header(), madness::MacroTaskQ::print_taskq(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::print_timer(), madness::Cloud::print_timings(), madness::CCMessenger::print_warnings(), madness::TDHF::print_xfunctions(), printfunc(), madness::MacroTaskQ::printtimings(), madness::LowRankFunctionFactory< T, NDIM, LDIM >::project(), madness::FunctionImpl< T, NDIM >::project_out(), madness::FunctionImpl< T, NDIM >::project_out2(), propagate(), q_c(), random_proc_not_me(), GroundStateCalculation::read(), madness::InitParameters::read(), madness::F12Potentials::read_cabs_from_file(), madness::QCCalculationParametersBase::read_commandline_options(), madness::QCCalculationParametersBase::read_input(), madness::QCCalculationParametersBase::read_internal(), madness::InitParameters::readnw(), reconstruct_psi(), madness::FunctionImpl< T, NDIM >::recursive_apply(), madness::WorldGopInterface::reduce_internal(), madness::FunctionImpl< T, NDIM >::refine(), madness::archive::BaseParallelArchive< Archive >::remove(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::replicate(), madness::Cloud::replicate(), madness::Solver< T, NDIM >::reproject(), madness::SCF::restart_aos(), run(), madness::MacroTaskQ::run_all(), madness::CCParameters::sanity_check(), madness::MP2::save_function(), madness::save_function(), madness::Nemo::save_function(), save_function(), madness::SCF::save_mos(), madness::MolecularOrbitals< T, NDIM >::save_restartaodata(), madness::OEP::save_restartdata(), DF::saveDF(), madness::CCMessenger::section(), madness::WorldGopInterface::send(), madness::WorldGopInterface::send_internal(), madness::MacroTaskQ::set_complete_local(), madness::XCOperator< T, NDIM >::set_extra_truncation(), madness::archive::BaseParallelArchive< Archive >::set_nclient(), madness::Solver< T, NDIM >::set_occs2(), Calculation::set_protocol(), madness::SCF::set_protocol(), simple_example(), madness::Solver< T, NDIM >::solve(), madness::CC2::solve(), madness::Nemo::solve(), madness::PNO::solve(), DF::solve(), madness::SCF::solve(), solve(), madness::CC2::solve_cc2(), madness::TDHF::solve_cis(), madness::CC2::solve_cispd(), madness::PNO::solve_cispd(), madness::MP2::solve_coupled_equations(), madness::Nemo::solve_cphf(), madness::CC2::solve_lrcc2(), madness::PNO::solve_mp2(), madness::CC2::solve_mp2_coupled(), DF::solve_occupied(), madness::MP2::solve_residual_equations(), srand(), madness::startup(), madness::Solver< T, NDIM >::step_restriction(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< ContainerRecordOutputArchive >, WorldContainer< keyT, valueT > >::store(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< localarchiveT >, WorldContainer< keyT, valueT > >::store(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< VectorOutputArchive >, WorldContainer< keyT, valueT > >::store(), madness::archive::ContainerRecordOutputArchive::store(), madness::Cloud::store_other(), madness::CCPair::store_pair(), madness::ElectronPair::store_pair(), madness::CCMessenger::subsection(), madness::LoadBalanceDeux< NDIM >::sum(), madness::PNO::t_solve(), madness::Znemo::timer::tag(), Tbar(), test(), madness::TDHF::test(), test0(), test0GaussLobatto(), test1(), test10(), test11(), test12(), test13(), test14(), test15(), test2(), test5(), test6(), test6a(), test7(), test8(), test9(), test_2d_partitioning(), test_adaptive_tree(), test_apply_push_1d(), test_basic(), test_bsh(), test_conv(), test_convolution(), test_coulomb(), test_cross(), test_custom_worldobject(), test_deferred(), test_diff(), test_dnuclear(), madness::test_exchange(), test_exchange(), test_florian(), test_fock(), test_G_R_vectors(), test_gaussian_num_coeffs(), test_gconv(), test_he(), test_hf_be(), test_hf_he(), test_hydro(), test_immediate(), test_inner(), test_io(), test_kinetic(), test_local(), test_lowrank_function(), test_math(), test_matrix_mul_sparse(), test_modified(), test_multi_to_multi_op(), test_multi_world(), test_nemo(), test_nuclear(), test_nuclear_energy(), test_nuclear_potential(), test_nuclear_potential2(), test_nuclear_potential3(), test_nuclear_potential_big_unit_cell(), test_op(), test_opdir(), test_plot(), test_proj(), test_qm(), test_recursive_application(), test_rot(), test_scalar_task(), test_task1(), test_twice(), test_U_el(), test_unaryop(), test_vector_of_scalar_task(), test_xc2(), test_XCOperator(), testgradG(), testNavierStokes(), trotter(), madness::NuclearCorrelationFactor::U2X_spherical(), madness::FunctionImpl< T, NDIM >::unaryXX(), madness::FunctionImpl< T, NDIM >::unaryXXvalues(), update(), madness::PNO::update_pno(), madness::SubspaceK< T, NDIM >::update_subspace(), madness::Subspace< T, NDIM >::update_subspace(), madness::SCF::update_subspace(), madness::MP2::value(), madness::Nemo::value(), madness::MolecularEnergy::value(), madness::CCParameters::warning(), madness::archive::ArchiveImpl< ParallelInputArchive< localarchiveT >, archive_array< T > >::wrap_load(), madness::archive::ArchiveImpl< ParallelInputArchive< localarchiveT >, T >::wrap_load(), madness::archive::ArchiveImpl< ParallelOutputArchive< localarchiveT >, archive_array< T > >::wrap_store(), and madness::archive::ArchiveImpl< ParallelOutputArchive< localarchiveT >, T >::wrap_store().

register_ptr()

template<typename T >

uniqueidT madness::World::register_ptr ( T *  ptr )

inline

Associate a local pointer with a universe-wide unique ID.

Use the routines register_ptr(), unregister_ptr(), id_from_ptr(), ptr_from_id() to map distributed data structures identified by the unique ID to/from process-local data.

Note

The pointer will be internally cast to a (void *), so don't use member pointers here.

All unique objects of any type within a World must presently be created in the same order on all processes so as to guarantee the uniqueness without global communication.

Template Parameters

T	The type of data to be associated.

Parameters

[in]

ptr

Pointer to the data that will be associated with a unique ID.

Returns

The unique ID associated with the supplied data.

References id(), madness::ConcurrentHashMap< keyT, valueT, hashfunT >::insert(), MADNESS_ASSERT, make_unique_obj_id(), map_id_to_ptr, map_ptr_to_id, and T().

set_user_state()

void madness::World::set_user_state ( void *  state )

inline

Sets the user-managed local state.

Rather than having all remotely invoked actions carry all of their data with them, they can access local state through their World instance. The user is responsible for consistently managing and freeing this data.

A more PC C++ style would be for the app to put state in a singleton.

Parameters

[in]

state

The user-managed local state.

References user_state.

shared_ptr_from_id()

template<typename T >

std::shared_ptr<T> madness::World::shared_ptr_from_id ( uniqueidT  id ) const

inline

Look up a local pointer from a world-wide unique ID.

Template Parameters

T	The type of the data to look up.

Parameters

[in]

id

The unique ID.

Returns

The pointer or a default constructed std::shared_ptr if the ID is not found.

References MADNESS_ASSERT.

size()

ProcessID madness::World::size ( ) const

inline

Returns the number of processes in this World (same as MPI_Comm_size()).

Returns

The number of processes in this World.

References mpi, and madness::WorldMpiInterface::size().

Referenced by madness::BinSorter< T, inserterT >::BinSorter(), madness::Group::Impl::Impl(), madness::MyPmap< D >::MyPmap(), madness::BinSorter< T, inserterT >::~BinSorter(), madness::WorldGopInterface::all_reduce(), madness::Diamagnetic_potential_factor::apply_potential(), madness::F12Potentials::apply_regularized_potential(), madness::projector_irrep::apply_symmetry_operators(), madness::WorldGopInterface::barrier(), madness::WorldGopInterface::bcast(), madness::WorldGopInterface::bcast_internal(), madness::WorldGopInterface::broadcast_serializable(), madness::Zcis::compare_to_file(), madness::Nemo::compute_nemo_potentials(), madness::Znemo::compute_potentials(), madness::F12Potentials::convolve_with_fU(), madness::F12Potentials::convolve_with_nonlocal_U(), madness::Solver< T, NDIM >::do_rhs(), madness::Solver< T, NDIM >::do_rhs_simple(), madness::BinSorter< T, inserterT >::finish(), madness::SCF::initial_guess(), initial_loadbal(), madness::LRFunctorF12< T, NDIM, LDIM >::inner(), madness::innerXX(), madness::OEP::iterate(), iterate(), madness::WorldGopInterface::lazy_sync(), line_plot(), madness::LoadBalanceDeux< NDIM >::load_balance(), madness::SCF::loadbal(), loadbal(), main(), madness::SCF::make_fock_matrix(), madness::TDHF::make_perturbed_fock_matrix(), madness::archive::BaseParallelArchive< Archive >::open(), madness::MacroTaskMp2ConstantPart::operator()(), madness::MacroTaskConstantPart::operator()(), madness::MacroTaskIteratePair::operator()(), madness::MacroTaskMp2UpdatePair::operator()(), madness::Fock< T, NDIM >::operator()(), madness::MacroTask< taskT >::operator()(), madness::ParametrizedExchange::operator()(), madness::FunctionImpl< T, NDIM >::do_check_symmetry_local::operator()(), madness::plot_cubefile(), madness::plot_plane(), preloadbal(), madness::MyPmap< D >::prepare_not_so_simple_map(), madness::WorldDCPmapInterface< keyT >::print_data_sizes(), madness::print_seq(), madness::Cloud::print_size(), madness::print_stats(), madness::print_tree_jsonfile(), madness::projector_irrep::project_on_irreps(), random_proc(), random_proc_not_me(), madness::WorldProfile::recv_stats(), madness::WorldGopInterface::reduce(), madness::archive::BaseParallelArchive< Archive >::remove(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::replicate(), madness::Cloud::replicate(), madness::MacroTaskQ::run_all(), madness::archive::BaseParallelArchive< Archive >::set_nclient(), simple_example(), madness::Nemo::solve(), madness::Nemo::solve_cphf(), madness::CC2::solve_mp2_coupled(), madness::startup(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< localarchiveT >, WorldContainer< keyT, valueT > >::store(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< VectorOutputArchive >, WorldContainer< keyT, valueT > >::store(), test10(), test12(), test13(), test14(), test15(), test2(), test5(), test6a(), test7(), test_2d_partitioning(), test_deferred(), test_io(), test_multi_world(), test_plot(), test_twice(), madness::to_conjugate_X_space(), madness::to_X_space(), madness::SubspaceK< T, NDIM >::update_subspace(), madness::Subspace< T, NDIM >::update_subspace(), and vector_to_PQ().

srand()

void madness::World::srand ( unsigned long  seed = 0ul )

inline

Crude seed function for random number generation.

Parameters

[in]

seed

The seed.

Todo:

Since we're switching to C++11, would it be worth using the new C++11 random number generation capabilities?

References myrand_next, rand(), and rank().

Referenced by test11(), and test6().

unregister_ptr()

void madness::World::unregister_ptr ( const uniqueidT  id )

inline

Unregister a global object via its the unique ID.

Parameters

[in]

id

The unique ID of the data to unregister.

References madness::ConcurrentHashMap< keyT, valueT, hashfunT >::erase(), madness::ConcurrentHashMap< keyT, valueT, hashfunT >::find(), MADNESS_ASSERT, map_id_to_ptr, map_ptr_to_id, madness::Hash_private::HashAccessor< hashT, lockmode >::release(), and madness::ConcurrentHashMap< keyT, valueT, hashfunT >::try_erase().

Referenced by madness::WorldObject< Derived >::~WorldObject().

world_from_id()

static World* madness::World::world_from_id ( std::uint64_t  id )

inlinestatic

Convert a World ID to a World pointer.

The ID will only be valid if the process calling this routine is a member of that World. Thus a NULL return value does not necessarily mean that the World does not exist — it could just not include the calling process.

Parameters

[in]

id

The ID of the World.

Returns

A pointer to the world associated with id, or NULL.

References default_world, and worlds.

Referenced by madness::AmArg::get_world(), madness::archive::ArchiveLoadImpl< Archive, const FunctionImpl< T, NDIM > * >::load(), madness::archive::ArchiveLoadImpl< Archive, FunctionImpl< T, NDIM > * >::load(), madness::madness::archive::ArchiveLoadImpl< Archive, std::shared_ptr< ScalarResult< T > > >::load(), madness::archive::ArchiveLoadImpl< Archive, World * >::load(), madness::archive::ArchiveLoadImpl< BufferInputArchive, const WorldObject< Derived > * >::load(), madness::archive::ArchiveLoadImpl< BufferInputArchive, WorldObject< Derived > * >::load(), and madness::detail::WorldPtr< T >::load_internal_().

Friends And Related Function Documentation

finalize

void finalize ( )

friend

Call this once at the very end of your main program instead of MPI_Finalize().

initialize

World& initialize ( int &  , char **&  , const SafeMPI::Intracomm &  , int  , bool    )

friend

Initializes the MADNESS runtime with the given MPI communicator and the given number of compute threads Call this once at the very top of your main program to initialize the MADNESS runtime. This function should be called instead of MPI_Init() or MPI_Init_thread().

Parameters

[in,out]	argc	Application argument count.
[in,out]	argv	Application argument values.
	comm	The communicator that should be used to construct the World object.
[in]	nthread	The total number of compute threads to create (the main thread is counted among the compute threads); if a negative value is given then the default number of compute threads will be used.
[in]	quiet	If false, will announce to std::cout on rank 0 when the runtime has been initialized.

Returns

A reference to the World constructed with comm.

Note

The default number of compute threads is read from the environment variable MAD_NUM_THREADS; if the environment variable is not given the number of compute thread is set to the system-defined number of hardware threads.

WorldAmInterface

friend class WorldAmInterface

friend

WorldGopInterface

friend class WorldGopInterface

friend

Member Data Documentation

_id

std::uint64_t madness::World::_id

private

Universe wide unique ID of this world.

Referenced by World(), ~World(), id(), make_unique_obj_id(), and next_unique_obj_id().

am

WorldAmInterface& madness::World::am

AM interface.

Referenced by World(), ~World(), madness::WorldGopInterface::bcast_task(), madness::WorldGopInterface::fence_impl(), madness::WorldGopInterface::group_bcast_task(), madness::RemoteReference< T >::reset(), madness::WorldObject< Derived >::send_am(), madness::WorldObject< Derived >::send_task(), madness::WorldTaskQueue::send_task(), madness::FutureImpl< T >::set(), and madness::FutureImpl< T >::set_handler().

default_world

World * madness::World::default_world = nullptr

staticprivate

Default world.

The default World.

Referenced by exists(), find_instance(), get_default(), is_default(), and world_from_id().

gop

WorldGopInterface& madness::World::gop

Global operations.

Referenced by madness::AC< NDIM >::AC(), Calculation::Calculation(), DF::DF(), madness::FunctionImpl< T, NDIM >::FunctionImpl(), madness::LoadBalanceDeux< NDIM >::LoadBalanceDeux(), madness::Molecule::Molecule(), madness::SCF::SCF(), madness::Znemo::timer::timer(), madness::timer::timer(), ~World(), madness::abssq(), madness::add(), madness::FunctionImpl< T, NDIM >::apply(), madness::apply(), madness::FunctionImpl< T, NDIM >::apply_1d_realspace_push(), apply_BSH(), apply_BSH_new(), madness::TDHF::apply_excitation_operators(), madness::TDHF::apply_G(), madness::GTHPseudopotential< Q >::apply_potential(), apply_potential(), madness::SCF::apply_potential(), madness::FunctionImpl< T, NDIM >::apply_source_driven(), madness::projector_irrep::apply_symmetry_operators(), madness::FunctionImpl< T, NDIM >::binaryXX(), madness::archive::BaseParallelArchive< Archive >::broadcast(), madness::Solver< T, NDIM >::build_fock_matrix(), Calculation::calc_optimal_coeffs(), madness::change_tree_state(), madness::Function< T, NDIM >::clear(), madness::Cloud::clear_cache(), madness::compress(), madness::Localizer::compute_core_valence_separation_transformation_matrix(), madness::PNO::compute_fluctuation_matrix(), madness::F12Potentials::compute_fQc_integrals_ij(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::compute_K_tile(), madness::NemoBase::compute_kinetic_energy(), madness::CC2::compute_local_coupling(), madness::Nemo::compute_nemo_potentials(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::MacroTaskExchangeSimple::compute_offdiagonal_batch_in_symmetric_matrix(), madness::F12Potentials::compute_regularized_fluctuation_matrix(), madness::SCF::compute_residual(), Calculation::compute_residuals(), madness::Solver< T, NDIM >::compute_rho(), madness::Solver< T, NDIM >::compute_rho_slow(), madness::conj(), madness::convert(), madness::response_space::copy(), madness::copy(), madness::FunctionImpl< T, NDIM >::copy_coeffs(), madness::DistributedMatrix< T >::copy_to_replicated(), madness::DistributedMatrix< T >::copy_to_replicated_patch(), madness::PotentialManager::core_projection(), madness::MacroTaskQ::create_worlds(), madness::cross(), madness::SCF::derivatives(), dipole_generator(), madness::div(), madness::FunctionImpl< T, NDIM >::do_dirac_convolution(), madness::Znemo::do_step_restriction(), madness::SCF::do_step_restriction(), doit(), dostuff(), madness::Znemo::timer::end(), madness::SystolicFixOrbitalOrders::end_iteration_hook(), madness::SystolicPMOrbitalLocalize::end_iteration_hook(), molresponse::end_timer(), energy(), madness::archive::BaseParallelArchive< Archive >::exists(), madness::QCCalculationParametersBase::file_exists(), madness::BinSorter< T, inserterT >::finish(), madness::FunctionImpl< T, NDIM >::flo_unary_op_node_inplace(), madness::FunctionImpl< T, NDIM >::gaxpy(), madness::gaxpy(), gaxpy1(), madness::FunctionImpl< T, NDIM >::gaxpy_ext(), madness::FunctionImpl< T, NDIM >::gaxpy_inplace(), madness::FunctionImpl< T, NDIM >::gaxpy_inplace_reconstructed(), madness::ScalarResult< T >::get(), get_fock_transformation(), madness::SCF::get_fock_transformation(), madness::MacroTaskQ::get_scheduled_task_number(), madness::StrongOrthogonalityProjector< T, NDIM >::get_vectors_for_outer_product(), madness::WorldDCPmapInterface< keyT >::global_size(), madness::grad(), madness::grad_ble_one(), madness::grad_ble_two(), madness::grad_bpsline_two(), madness::grad_bspline_one(), madness::grad_bspline_three(), CoreFittingTarget::gradient(), ground_exchange(), ground_exchange_multiworld(), madness::BasisFunctions::guess_with_exop(), madness::hartree_product(), madness::FunctionImpl< T, NDIM >::hartree_product(), madness::Solver< T, NDIM >::init(), madness::Solver< T, NDIM >::initial_guess(), initial_loadbal(), initialize_calc_params(), madness::inner(), madness::innerXX(), madness::timer::interrupt(), madness::CC2::iterate_singles(), madness::SCF::kinetic_energy_matrix(), madness::Kinetic< T, NDIM >::kinetic_energy_matrix(), line_plot(), madness::FunctionImpl< T, NDIM >::load(), madness::archive::ArchiveLoadImpl< ParallelInputArchive< localarchiveT >, WorldContainer< keyT, valueT > >::load(), madness::LoadBalanceDeux< NDIM >::load_balance(), madness::load_coeffs(), madness::SCF::load_mos(), Calculation::load_mos(), madness::Solver< T, NDIM >::load_orbitals(), madness::load_quadrature(), madness::SCF::loadbal(), loadbal(), madness::Localizer::localize_boys(), madness::Localizer::localize_new(), main(), madness::main(), DF::make_component_lineplots(), DF::make_component_logplots(), madness::Nemo::make_density(), madness::SCF::make_density(), MiniDFT::make_density(), DF::make_density_lineplots(), madness::SCF::make_fock_matrix(), madness::Zcis::make_guess(), madness::TDHF::make_perturbed_fock_matrix(), madness::CompositeFunctorInterface< T, NDIM, MDIM >::make_redundant(), Calculation::make_reference(), Calculation::make_Upsi(), madness::TDHF::make_virtuals(), madness::FunctionImpl< T, NDIM >::make_Vphi(), madness::FunctionImpl< T, NDIM >::make_Vphi_only(), MiniDFT::makeao(), makeao_slow(), madness::matrix_inner(), madness::matrix_inner_old(), madness::matrix_mul_sparse(), madness::FunctionImpl< T, NDIM >::merge_trees(), madness::mul(), madness::mul_sparse(), madness::EigSolverOp< T, NDIM >::multi_op_o(), madness::EigSolverOp< T, NDIM >::multi_op_r(), madness::FunctionImpl< T, NDIM >::multi_to_multi_op_values(), madness::Function< T, NDIM >::multiop_values(), madness::FunctionImpl< T, NDIM >::multiop_values(), madness::multiply(), madness::FunctionImpl< T, NDIM >::mulXX(), madness::FunctionImpl< T, NDIM >::mulXXvec(), madness::nonstandard(), madness::norm2(), madness::X_space::norm2s(), madness::norm2s(), madness::norm2s_T(), madness::norm_tree(), madness::normalize(), madness::WorldGopInterface::DelayedSend< keyT, valueT >::notify(), madness::archive::BaseParallelArchive< Archive >::open(), madness::pg_operator::operator()(), madness::DerivativeOperator< T, NDIM >::operator()(), BoysLocalization::operator()(), madness::partial_mul(), madness::plot_along(), madness::plot_line(), Calculation::plot_p(), madness::plotdx(), madness::plotvtk_begin(), madness::plotvtk_data(), madness::plotvtk_end(), madness::MolecularOrbitals< T, NDIM >::post_process_mos(), preloadbal(), madness::XCOperator< T, NDIM >::prep_xc_args(), madness::XCOperator< T, NDIM >::prep_xc_args_response(), madness::WorldProfile::print(), madness::WorldDCPmapInterface< keyT >::print_data_sizes(), madness::Solver< T, NDIM >::print_fock_matrix_eigs(), madness::Solver< T, NDIM >::print_potential_matrix_eigs(), madness::Cloud::print_size(), madness::print_stats(), madness::MacroTaskQ::print_taskq(), madness::Exchange< T, NDIM >::ExchangeImpl< T, NDIM >::print_timer(), madness::Cloud::print_timings(), madness::SCF::project(), madness::Solver< T, NDIM >::project_ao_basis(), madness::SCF::project_ao_basis_only(), madness::projector_irrep::project_on_irreps(), madness::Function< T, NDIM >::project_out(), madness::FunctionImpl< T, NDIM >::project_out(), propagate(), GroundStateCalculation::read(), madness::QCCalculationParametersBase::read_commandline_options(), madness::QCCalculationParametersBase::read_input(), realmain(), madness::reconstruct(), madness::FunctionImpl< T, NDIM >::recursive_apply(), madness::WorldDCPmapInterface< keyT >::redistribute(), madness::FunctionImpl< T, NDIM >::refine(), madness::refine(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::replicate(), madness::Cloud::replicate(), madness::CompositeFunctorInterface< T, NDIM, MDIM >::replicate_low_dim_functions(), madness::Solver< T, NDIM >::reproject(), response_exchange_multiworld(), madness::SCF::restart_aos(), madness::timer::resume(), madness::rot(), madness::Znemo::rotate_subspace(), madness::Nemo::rotate_subspace(), madness::SCF::rotate_subspace(), madness::MacroTaskQ::run_all(), madness::scale(), madness::FunctionImpl< T, NDIM >::scale_oop(), madness::Function< T, NDIM >::set_impl(), madness::set_thresh(), simple_example(), madness::standard(), madness::MyTimer::start(), molresponse::start_timer(), DF::start_timer(), START_TIMER(), madness::Solver< T, NDIM >::START_TIMER(), madness::START_TIMER(), madness::MP2::START_TIMER(), madness::startup(), madness::FunctionImpl< T, NDIM >::store(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< localarchiveT >, WorldContainer< keyT, valueT > >::store(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< VectorOutputArchive >, WorldContainer< keyT, valueT > >::store(), madness::Cloud::store(), madness::Cloud::store_other(), madness::sub(), madness::LoadBalanceDeux< NDIM >::sum(), madness::sum(), madness::sygvp(), madness::Znemo::timer::tag(), madness::timer::tag(), test(), test0(), test1(), test10(), test11(), test12(), test13(), test14(), test15(), test2(), test5(), test6(), test6a(), test7(), test_apply_push_1d(), test_basic(), test_bsh(), TEST_CASE(), test_conv(), test_conversion(), test_convolution(), test_diff(), test_florian(), test_gconv(), test_io(), test_local(), test_math(), test_multi(), test_multi_world(), test_opdir(), test_periodic(), test_periodic1(), test_periodic2(), test_periodic_bsh(), test_plot(), test_qm(), test_transform(), test_unaryop(), madness::time_transform(), madness::transform(), madness::Zcis::transform(), transform(), madness::transform_reconstructed(), madness::truncate(), madness::SCF::twoint(), madness::FunctionImpl< T, NDIM >::unary_op_coeff_inplace(), madness::FunctionImpl< T, NDIM >::unary_op_node_inplace(), madness::FunctionImpl< T, NDIM >::unary_op_value_inplace(), madness::FunctionImpl< T, NDIM >::unaryXX(), madness::FunctionImpl< T, NDIM >::unaryXXvalues(), madness::SubspaceK< T, NDIM >::update_subspace(), madness::Subspace< T, NDIM >::update_subspace(), madness::SCF::update_subspace(), madness::MolecularEnergy::value(), CoreFittingTarget::value(), madness::Function< T, NDIM >::vmulXX(), madness::FunctionImpl< T, NDIM >::vtransform(), work_even(), work_odd(), madness::zero_functions(), madness::X_space::zero_functions(), and madness::zero_functions_compressed().

map_id_to_ptr

map_id_to_ptrT madness::World::map_id_to_ptr

private

Maps unique ID of a global object to its local pointer

Note

Unique IDs are created by increasing obj_id. To be able to assign unique IDs to objects created in different worlds, they must be created in exactly the same sequence in every process. Hence in general object construction happens in main thread. Object construction first updates obj_id, then inserts ID into this. The rest of code only knows about this object once it's been added to this map, hence this map (NOT obj_id) defines the known objects. The only writers to map_id_to_ptr are {register,unregister}_ptr().

Referenced by ptr_from_id(), register_ptr(), and unregister_ptr().

map_ptr_to_id

map_ptr_to_idT madness::World::map_ptr_to_id

private

inverse of map_id_to_ptr

Todo:

Verify: Map from a pointer to its unique hash ID.

Referenced by id_from_ptr(), register_ptr(), and unregister_ptr().

mpi

WorldMpiInterface& madness::World::mpi

MPI interface.

Referenced by World(), madness::WorldAmInterface::WorldAmInterface(), ~World(), madness::WorldGopInterface::all_reduce(), madness::WorldGopInterface::bcast_task(), madness::WorldGopInterface::broadcast(), madness::WorldGopInterface::concat0(), madness::MacroTaskQ::create_worlds(), madness::SystolicMatrixAlgorithm< T >::cycle(), madness::WorldGopInterface::fence_impl(), find_instance(), madness::archive::MPIOutputArchive::flush(), madness::WorldGopInterface::lazy_sync(), madness::archive::MPIRawInputArchive::load(), madness::archive::MPIInputArchive::load(), main(), nproc(), rank(), madness::redirectio(), madness::WorldGopInterface::reduce(), madness::Cloud::replicate(), size(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< localarchiveT >, WorldContainer< keyT, valueT > >::store(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< VectorOutputArchive >, WorldContainer< keyT, valueT > >::store(), madness::archive::MPIRawOutputArchive::store(), and test_multi_world().

myrand_next

unsigned int madness::World::myrand_next

private

State of crude internal random number generator.

Referenced by rand(), and srand().

obj_id

unsigned long madness::World::obj_id

private

Counter for generating unique IDs within this world.

Referenced by make_unique_obj_id(), and next_unique_obj_id().

taskq

WorldTaskQueue& madness::World::taskq

Task queue.

Referenced by madness::CubicInterpolationTable< T >::CubicInterpolationTable(), ~World(), madness::CoeffTracker< T, NDIM >::activate(), madness::FunctionImpl< T, NDIM >::multiply_op< LDIM >::activate(), madness::FunctionImpl< T, NDIM >::add_op::activate(), madness::FunctionImpl< T, NDIM >::hartree_op< LDIM, leaf_opT >::activate(), madness::FunctionImpl< T, NDIM >::Vphi_op_NS< opT, LDIM >::activate(), madness::FunctionImpl< T, NDIM >::recursive_apply_op< opT, LDIM >::activate(), madness::FunctionImpl< T, NDIM >::recursive_apply_op2< opT >::activate(), madness::FunctionImpl< T, NDIM >::project_out_op< LDIM >::activate(), madness::WorldGopInterface::bcast_internal(), madness::distributed_localize_PM(), madness::FunctionImpl< T, NDIM >::errsq_local(), madness::WorldGopInterface::fence_impl(), madness::FunctionImpl< T, NDIM >::flo_unary_op_node_inplace(), madness::FunctionImpl< T, NDIM >::gaxpy_inplace(), madness::inner(), madness::FunctionImpl< T, NDIM >::inner_adaptive_local(), madness::FunctionImpl< T, NDIM >::inner_ext_local(), madness::WorldGopInterface::lazy_sync(), madness::WorldGopInterface::lazy_sync_internal(), main(), madness::FunctionImpl< T, NDIM >::multi_to_multi_op_values(), madness::FunctionImpl< T, NDIM >::multiop_values(), madness::WorldContainerImpl< keyT, valueT, hashfunT >::redistribute_phase2(), madness::WorldGopInterface::reduce_internal(), Task::run(), madness::WorldGopInterface::send_internal(), madness::archive::ArchiveStoreImpl< ParallelOutputArchive< VectorOutputArchive >, WorldContainer< keyT, valueT > >::store(), madness::WorldObject< Derived >::task(), test10(), test5(), test9(), test_multi(), madness::FunctionImpl< T, NDIM >::unary_op_value_inplace(), and madness::FunctionImpl< T, NDIM >::vtransform().

user_state

void* madness::World::user_state

private

Holds a user-defined and managed local state.

Referenced by clear_user_state(), get_user_state(), and set_user_state().

world_id__next_last

std::pair< std::uint64_t, std::uint64_t > madness::World::world_id__next_last {}

staticprivate

Unique {next, last} world IDs to be used by this rank.

Referenced by initialize_world_id_range(), and next_world_id().

worlds

std::list< World * > madness::World::worlds

staticprivate

Maintains list of active worlds, EXCLUDES default_world.

List of World pointers in the parallel runtime EXCEPT the default World.

Referenced by World(), ~World(), exists(), find_instance(), and world_from_id().

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

• world.h
• world.cc