mpqc::MPQCInit Class Reference

Documentation

This helper singleton class simplifies initialization of MPQC.

An object of this type is created on every process of the default MADWorld World by calling mpqc::initialize() and can be accessed for additional customization via mpqc::MPQCInit::instance(). The object is destroyed by calling mpqc::finalize() .

Note

this object is meant to be manipulated by 1 (usually, main) thread.

Public Types
using	InputFormat = KeyVal::InputFormat

Public Member Functions
	~MPQCInit ()
const int &	argc () const
char **	argv () const
std::shared_ptr< const GetLongOpt >	opt () const
bool	initialized_ta () const
InputFormat	input_format () const
std::shared_ptr< mpqc::KeyVal >	make_keyval (madness::World &world, const std::string &filename)
void	init_io (const std::string &input_filename, const std::string &output_filename="")
	Initialize formatted I/O (i.e., the FormIO class ). More...
	MPQCInit (int &argc, char **argv, std::shared_ptr< GetLongOpt > opt, madness::World &world, bool initialized_ta, singleton_ctor_tag)

Static Public Member Functions
static MPQCInit &	instance ()

Member Typedef Documentation

InputFormat

using mpqc::MPQCInit::InputFormat = KeyVal::InputFormat

Constructor & Destructor Documentation

~MPQCInit()

mpqc::MPQCInit::~MPQCInit

(

)

MPQCInit()

mpqc::MPQCInit::MPQCInit	(	int &	argc,
		char **	argv,
		std::shared_ptr< GetLongOpt >	opt,
		madness::World &	world,
		bool	initialized_ta,
		singleton_ctor_tag
	)

Create the initializer. Only one object of this time can be created. Needed options will be enrolled in the opt object. The parse member of opt must be called after this constructor completes, but before any of the other members of MPQCInit are called.

Note

This is not explicitly implemented as a Singleton for syntactic reasons.

Warning

TiledArray's sparse shape threshold is set to double-precision epsilon, and restored when this is destructed

Parameters

[in]	argc	the argc parameter passed to main
[in]	argv	the argv parameter passed to main
[in]	opt	the GetLongOpt object
[in]	world	the top World object in which MPQC will execute
[in]	initialized_ta	reports whether TA was initialized by MPQC or not
[in]	singleton_ctor_tag	controls access to this constructor

Member Function Documentation

argc()

const int& mpqc::MPQCInit::argc ( ) const

inline

Returns

the command-line argument count

argv()

char** mpqc::MPQCInit::argv ( ) const

inline

Returns

the command-line arguments

init_io()

void mpqc::MPQCInit::init_io	(	const std::string &	input_filename,
		const std::string &	output_filename = ""
	)

Initialize formatted I/O (i.e., the FormIO class ).

This initializes C and standard C++ I/O to use en_US.UTF-8 locale, For standard C++ I/O streams this also sets the default precision to the max necessary for double values , configures indentation width to 2 , and configures ExEnv::out0() and ExEnv::err0() to return printing streams on rank 0 only. This also configures static data of the FormIO class, namely the values returned by FormIO::default_basename() , FormIO::default_work_dir() , and FormIO::default_file_prefix() (see the FormIO documentation for the defaults returned by those functions ).

Note

This is a collective operation with respect to the World object returned by mpqc::get_default_world() .

C and C++ I/O is left syncronized, so it should be safe to use C I/O .

Parameters

[in]	world	the top World object in which MPQC will execute
[in]	input_filename	the input file name
[in]	output_filename	the output file name; the default is empty

See also

FormIO

Exceptions

FileOperationFailed

if file input_filename does not exist.

initialized_ta()

bool mpqc::MPQCInit::initialized_ta ( ) const

inline

Returns

true if TA was initialized by mpqc::initialize()

input_format()

InputFormat mpqc::MPQCInit::input_format ( ) const

inline

Returns

an InputFormat value that indicated which format the input was given in

instance()

MPQCInit & mpqc::MPQCInit::instance ( )

static

Returns

the reference to the only instance of this object

Exceptions

mpqc::ProgrammingError

if mpqc::initialize() had not been called

make_keyval()

std::shared_ptr< mpqc::KeyVal > mpqc::MPQCInit::make_keyval	(	madness::World &	world,
		const std::string &	filename
	)

Creates the KeyVal object from the contents of file filename . This is a collective operation: the file will be read by one of the processes in world and broadcast to every other process.

Parameters

[in]	world	the madness::World object
[in]	filename	the name of the file to be read

Returns

the shared_ptr to the KeyVal object

Note

Must be called on every process in world

Exceptions

InputError

if file format not recognized (see mpqc::KeyVal for more information on the recognized formats)

opt()

std::shared_ptr<const GetLongOpt> mpqc::MPQCInit::opt ( ) const

inline

Returns

the command-line options parser

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

• bin/mpqc/mpqc_init.h
• bin/mpqc/mpqc_init.cpp