sc::R12IntsAcc_MPIIOFile Class Reference

Inheritance diagram for sc::R12IntsAcc_MPIIOFile:

Collaboration diagram for sc::R12IntsAcc_MPIIOFile:

Classes
struct	PairBlkInfo

Public Member Functions
	R12IntsAcc_MPIIOFile (Ref< MemoryGrp > &mem, const char *filename, int num_te_types, int ni, int nj, int nx, int ny)
	R12IntsAcc_MPIIOFile (StateIn &)
void	save_data_state (StateOut &)
	Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
void	store_pair_block (int i, int j, double *ints)
	Stores an ij pair block of integrals to the file.
void	commit ()
	Commit the content of the accumulator for reading - deactivate the associated MemoryGrp and activate the accumulator.
void	activate ()
	Call when ready to read content.
void	deactivate ()
	Done reading content - activate the associated MemoryGrp This is a collective operation.
void	release_pair_block (int i, int j, tbint_type oper_type)
	Releases an ij pair block of integrals.
bool	is_local (int i, int j) const
	Is this block stored locally?
bool	is_avail (int i, int j) const
	In this implementation blocks are available everywhere.
bool	has_access (int proc) const
	Does this task have access to all the integrals?
bool	can_restart () const
	Can restart MPI-IO-based accumulator.
int	ij_index (int i, int j) const
Public Member Functions inherited from sc::R12IntsAcc
	R12IntsAcc (int num_te_types, int ni, int nj, int nx, int ny)
	R12IntsAcc (StateIn &)
int	num_te_types () const
	The number of types of integrals that are being handled together.
int	ni () const
	Rank of index space i.
int	nj () const
	Rank of index space j.
int	nx () const
	Rank of index space x.
int	ny () const
	Rank of index space y.
size_t	blocksize () const
	Size of each block of the integrals of one type, in double words.
int	next_orbital () const
	The index of the first orbital in the next integrals batch to be stored.
virtual void	store_memorygrp (Ref< MemoryGrp > &mem, int ni, const size_t blksize=0)=0
	Stores all pair block of integrals held in mem in a layout assumed throughout MBPT2_R12.
bool	is_committed ()
	Has the content of the accumulator been commited for reading?
const bool	is_active ()
	Check if can read content.
virtual double *	retrieve_pair_block (int i, int j, tbint_type oper_type)=0
	Retrieves an ij pair block of integrals.
int	tasks_with_access (vector< int > &twa_map) const
	Returns the total number of tasks with access to integrals.
Public Member Functions inherited from sc::SavableState
SavableState &	operator= (const SavableState &)
void	save_state (StateOut &)
	Save the state of the object as specified by the StateOut object.
void	save_object_state (StateOut &)
	This can be used for saving state when the exact type of the object is known for both the save and the restore.
virtual void	save_vbase_state (StateOut &)
	Save the virtual bases for the object.
Public Member Functions inherited from sc::DescribedClass
	DescribedClass (const DescribedClass &)
DescribedClass &	operator= (const DescribedClass &)
ClassDesc *	class_desc () const throw ()
	This returns the unique pointer to the ClassDesc corresponding to the given type_info object.
const char *	class_name () const
	Return the name of the object's exact type.
int	class_version () const
	Return the version of the class.
virtual void	print (std::ostream &=ExEnv::out0()) const
	Print the object.
Public Member Functions inherited from sc::RefCount
int	lock_ptr () const
	Lock this object.
int	unlock_ptr () const
	Unlock this object.
void	use_locks (bool inVal)
	start and stop using locks on this object
refcount_t	nreference () const
	Return the reference count.
refcount_t	reference ()
	Increment the reference count and return the new count.
refcount_t	dereference ()
	Decrement the reference count and return the new count.
int	managed () const
void	unmanage ()
	Turn off the reference counting mechanism for this object.
int	managed () const
	Return 1 if the object is managed. Otherwise return 0.
Public Member Functions inherited from sc::Identity
Identifier	identifier ()
	Return the Identifier for this argument.

Protected Member Functions
void	check_error_code_ (int errcod) const
	Utility function to check MPI I/O error codes.
void	init (bool restart)
int	ntasks () const
	total number of tasks
int	taskid () const
	ID of this task.
Protected Member Functions inherited from sc::R12IntsAcc
void	inc_next_orbital (int ni)
	The index of the first orbital in the next integrals batch to be stored.
Protected Member Functions inherited from sc::SavableState
	SavableState (const SavableState &)
	SavableState (StateIn &)
	Each derived class StateIn CTOR handles the restore corresponding to calling save_object_state, save_vbase_state, and save_data_state listed above.
Protected Member Functions inherited from sc::RefCount
	RefCount (const RefCount &)
RefCount &	operator= (const RefCount &)

Protected Attributes
Ref< MemoryGrp >	mem_
int	nproc_
size_t	nints_per_block_
char *	filename_
MPI_File	datafile_
struct sc::R12IntsAcc_MPIIOFile::PairBlkInfo *	pairblk_
Protected Attributes inherited from sc::R12IntsAcc
int	ni_
int	nj_
int	nx_
int	ny_
size_t	nxy_
size_t	blksize_
size_t	blocksize_
int	next_orbital_
bool	committed_
bool	active_

Additional Inherited Members
Public Types inherited from sc::R12IntsAcc
enum	tbint_type { eri =0 , r12 =1 , r12t1 =2 , r12t2 =3 }
	Types of two-body operators that R12IntsAcc understands.
Static Public Member Functions inherited from sc::SavableState
static void	save_state (SavableState *s, StateOut &)
static SavableState *	restore_state (StateIn &si)
	Restores objects saved with save_state.
static SavableState *	key_restore_state (StateIn &si, const char *keyword)
	Like restore_state, but keyword is used to override values while restoring.
static SavableState *	dir_restore_state (StateIn &si, const char *objectname, const char *keyword=0)
Static Public Attributes inherited from sc::R12IntsAcc
static const int	max_num_te_types_ = 4

Member Function Documentation

activate()

void sc::R12IntsAcc_MPIIOFile::activate ( )

virtual

Call when ready to read content.

Reimplemented from sc::R12IntsAcc.

can_restart()

bool sc::R12IntsAcc_MPIIOFile::can_restart ( ) const

inlinevirtual

Can restart MPI-IO-based accumulator.

Implements sc::R12IntsAcc.

commit()

void sc::R12IntsAcc_MPIIOFile::commit ( )

virtual

Commit the content of the accumulator for reading - deactivate the associated MemoryGrp and activate the accumulator.

This is a collective operation.

Reimplemented from sc::R12IntsAcc.

deactivate()

void sc::R12IntsAcc_MPIIOFile::deactivate ( )

virtual

Done reading content - activate the associated MemoryGrp This is a collective operation.

Reimplemented from sc::R12IntsAcc.

has_access()

bool sc::R12IntsAcc_MPIIOFile::has_access ( int proc ) const

inlinevirtual

Does this task have access to all the integrals?

Implements sc::R12IntsAcc.

is_avail()

bool sc::R12IntsAcc_MPIIOFile::is_avail ( int i, int j ) const

inlinevirtual

In this implementation blocks are available everywhere.

Implements sc::R12IntsAcc.

is_local()

bool sc::R12IntsAcc_MPIIOFile::is_local ( int i, int j ) const

inlinevirtual

Is this block stored locally?

Implements sc::R12IntsAcc.

ntasks()

int sc::R12IntsAcc_MPIIOFile::ntasks ( ) const

inlineprotectedvirtual

total number of tasks

Implements sc::R12IntsAcc.

release_pair_block()

void sc::R12IntsAcc_MPIIOFile::release_pair_block ( int i, int j, tbint_type oper_type )

virtual

Releases an ij pair block of integrals.

Implements sc::R12IntsAcc.

save_data_state()

void sc::R12IntsAcc_MPIIOFile::save_data_state ( StateOut & )

virtual

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

This must be implemented by the derived class if the class has data.

Reimplemented from sc::R12IntsAcc.

Reimplemented in sc::R12IntsAcc_MPIIOFile_Ind.

store_pair_block()

void sc::R12IntsAcc_MPIIOFile::store_pair_block ( int i, int j, double * ints )

virtual

Stores an ij pair block of integrals to the file.

Implements sc::R12IntsAcc.

taskid()

int sc::R12IntsAcc_MPIIOFile::taskid ( ) const

inlineprotectedvirtual

ID of this task.

Implements sc::R12IntsAcc.

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

• r12ia_mpiiofile.h