ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.

ProtoMol::Parallel Class Reference

#include <Parallel.h>

List of all members.

Static Public Member Functions

void init (int &argc, char **&argv)

void finalize ()

bool initialized ()

bool finalized ()

bool ok ()

int getId ()

int getMasterId ()

int getNum ()

int getAvailableId ()

int getAvailableNum ()

bool isParallel ()

bool iAmMaster ()

bool iAmSlave ()

ParallelType getMode ()

void setMode (ParallelType mode)

bool isDynamic ()

int getPipeSize ()

void setPipeSize (int n)

bool isBarrier ()

void setBarrier (bool b)

int getMaxPackages ()

void setMaxPackages (int n)

void bcast (Vector3DBlock *coords)

void bcast (int &n)

void distribute (ScalarStructure *energy, Vector3DBlock *coords)

void reduce (ScalarStructure *energy, Vector3DBlock *coords)

void reduceSlaves (Real *begin, Real *end)

void bcastSlaves (Real *begin, Real *end)

void sync ()

void syncSlave ()

unsigned int getNumberOfPackages (unsigned int n)

bool next ()

void resetNext ()

void resetNext (const std::vector< int > &blocks)

Static Public Attributes

const bool isMPI = false

Private Types

enum WorkState {
  DONE,
  SEQUENTIAL,
  STATIC,
  SLAVE,
  MASTER
}

Private Member Functions

Parallel ()

~Parallel ()

Parallel (const Parallel &)

Parallel & operator= (const Parallel &)

Static Private Member Functions

void kill ()

Parallel & instance ()

bool ok (const std::string &err)

WorkState getWorkState ()

void nextMaster ()

Static Private Attributes

bool myInitialized = false

bool myFinalized = false

int myId = 0

int myMasterId = master

int myNum = 1

int myAvailableId = 0

int myAvailableNum = 1

bool myIsParallel = Parallel::isMPI

bool myIAmMaster = true

bool myIAmSlave = true

ParallelType myMode = ParallelType::STATIC

WorkState myWorkState = Parallel::SEQUENTIAL

int myPipeSize = 1

bool myUseBarrier = false

int myMaxPackages = -1

int * myBuffer = NULL

int myNext = 0

int myNextRange [2] = {0,0}

std::vector< int > myDone

std::vector< int > myBlockList

int myRecv

int myI

int myP

Parallel * obj = NULL

Member Enumeration Documentation

enum ProtoMol::Parallel::WorkState [private]

< Enum specifing the actual working state of the node

Enumeration values:

DONE next() always false, when slave has nothing more to compute

SEQUENTIAL next() always true, traps calls of next() when running with 1 node (should not happen!)

STATIC next() based on modulo, simple load balancing

SLAVE slave

MASTER master

Constructor & Destructor Documentation

ProtoMol::Parallel::Parallel ( ) [private]

ProtoMol::Parallel::~Parallel ( ) [private]

ProtoMol::Parallel::Parallel ( const Parallel & ) [inline, private]

Member Function Documentation

void ProtoMol::Parallel::bcast ( int & n ) [static]

void ProtoMol::Parallel::bcast ( Vector3DBlock * coords ) [static]

Broadcast a Vector3DBlock from the master to the rest. Handles also the case if the receiving nodes have an emty (other size) Vector3DBlock.

void ProtoMol::Parallel::bcastSlaves ( Real * begin,

Real * end

) [static]

Broadcast over all nodes, exluding the master if running master-slave.

void ProtoMol::Parallel::distribute ( ScalarStructure * energy,

Vector3DBlock * coords

) [static]

Does the preprocessing, clearing the energies and forces for all nodes except the master.

void ProtoMol::Parallel::finalize ( ) [static]

MPI_Finialize.

bool ProtoMol::Parallel::finalized ( ) [inline, static]

int ProtoMol::Parallel::getAvailableId ( ) [inline, static]

int ProtoMol::Parallel::getAvailableNum ( ) [inline, static]

int ProtoMol::Parallel::getId ( ) [inline, static]

int ProtoMol::Parallel::getMasterId ( ) [inline, static]

int ProtoMol::Parallel::getMaxPackages ( ) [inline, static]

ParallelType ProtoMol::Parallel::getMode ( ) [inline, static]

int ProtoMol::Parallel::getNum ( ) [inline, static]

unsigned int ProtoMol::Parallel::getNumberOfPackages ( unsigned int n ) [static]

Returns the number of packages over all forces.

int ProtoMol::Parallel::getPipeSize ( ) [inline, static]

Parallel::WorkState ProtoMol::Parallel::getWorkState ( ) [static, private]

bool ProtoMol::Parallel::iAmMaster ( ) [inline, static]

bool ProtoMol::Parallel::iAmSlave ( ) [inline, static]

void ProtoMol::Parallel::init ( int & argc,

char **& argv

) [static]

MPI_Init and sets id and number of process.

bool ProtoMol::Parallel::initialized ( ) [inline, static]

Parallel & ProtoMol::Parallel::instance ( ) [static, private]

bool ProtoMol::Parallel::isBarrier ( ) [inline, static]

bool ProtoMol::Parallel::isDynamic ( ) [inline, static]

bool ProtoMol::Parallel::isParallel ( ) [inline, static]

void ProtoMol::Parallel::kill ( ) [static, private]

bool ProtoMol::Parallel::next ( ) [static]

true if the actual work package should computed, false skip it

void ProtoMol::Parallel::nextMaster ( ) [static, private]

bool ProtoMol::Parallel::ok ( const std::string & err ) [static, private]

bool ProtoMol::Parallel::ok ( ) [inline, static]

Parallel& ProtoMol::Parallel::operator= ( const Parallel & ) [inline, private]

void ProtoMol::Parallel::reduce ( ScalarStructure * energy,

Vector3DBlock * coords

) [static]

Does a reduction and a broadcast, such that all nodes have the correct summed energies and forces locally.

void ProtoMol::Parallel::reduceSlaves ( Real * begin,

Real * end

) [static]

Reduction over all nodes, exluding the master if running master-slave.

void ProtoMol::Parallel::resetNext ( const std::vector< int > & blocks ) [static]

void ProtoMol::Parallel::resetNext ( ) [inline, static]

void ProtoMol::Parallel::setBarrier ( bool b ) [inline, static]

void ProtoMol::Parallel::setMaxPackages ( int n ) [static]

void ProtoMol::Parallel::setMode ( ParallelType mode ) [static]

void ProtoMol::Parallel::setPipeSize ( int n ) [static]

void ProtoMol::Parallel::sync ( ) [static]

Syncronize all nodes.

void ProtoMol::Parallel::syncSlave ( ) [static]

Syncronize all slaves, exluding the master if running master-slave.

Member Data Documentation

const bool ProtoMol::Parallel::isMPI = false [static]

int ProtoMol::Parallel::myAvailableId = 0 [static, private]

Actual master-slave id, -1 for the master.

int ProtoMol::Parallel::myAvailableNum = 1 [static, private]

Available number of nodes for computation.

vector< int > ProtoMol::Parallel::myBlockList [static, private]

List of of the force partitioning.

int * ProtoMol::Parallel::myBuffer = NULL [static, private]

Bsend buffer.

vector< int > ProtoMol::Parallel::myDone [static, private]

Master, keeps track of slave have got already their work.

bool ProtoMol::Parallel::myFinalized = false [static, private]

int ProtoMol::Parallel::myI [static, private]

Index of the actual work package (only master).

bool ProtoMol::Parallel::myIAmMaster = true [static, private]

If this node is master.

bool ProtoMol::Parallel::myIAmSlave = true [static, private]

If this node is slave/worker.

int ProtoMol::Parallel::myId = 0 [static, private]

Actual id of the node, [0,1,...,N-1].

bool ProtoMol::Parallel::myInitialized = false [static, private]

If Parallel is initialized.

bool ProtoMol::Parallel::myIsParallel = Parallel::isMPI [static, private]

If environment has more that 1 node.

int ProtoMol::Parallel::myMasterId = master [static, private]

Id of the master.

int ProtoMol::Parallel::myMaxPackages = -1 [static, private]

Number of max. packages per node per force.

ParallelType ProtoMol::Parallel::myMode = ParallelType::STATIC [static, private]

Parallelization scheme.

int ProtoMol::Parallel::myNext = 0 [static, private]

Counter of next() calls.

int ProtoMol::Parallel::myNextRange = {0,0} [static, private]

Actual work package to work on [from,to].

int ProtoMol::Parallel::myNum = 1 [static, private]

Number of nodes, N.

int ProtoMol::Parallel::myP [static, private]

Node number.

int ProtoMol::Parallel::myPipeSize = 1 [static, private]

Number of add. work packages to push to slaves.

int ProtoMol::Parallel::myRecv [static, private]

Number of outstanding receives.

bool ProtoMol::Parallel::myUseBarrier = false [static, private]

Flag to signal usage of MPI_Barrier.

Parallel::WorkState ProtoMol::Parallel::myWorkState = Parallel::SEQUENTIAL [static, private]

Actual work state.

Parallel * ProtoMol::Parallel::obj = NULL [static, private]

Instance.

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

Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.


Static Public Member Functions
void	init (int &argc, char **&argv)
void	finalize ()
bool	initialized ()
bool	finalized ()
bool	ok ()
int	getId ()
int	getMasterId ()
int	getNum ()
int	getAvailableId ()
int	getAvailableNum ()
bool	isParallel ()
bool	iAmMaster ()
bool	iAmSlave ()
ParallelType	getMode ()
void	setMode (ParallelType mode)
bool	isDynamic ()
int	getPipeSize ()
void	setPipeSize (int n)
bool	isBarrier ()
void	setBarrier (bool b)
int	getMaxPackages ()
void	setMaxPackages (int n)
void	bcast (Vector3DBlock *coords)
void	bcast (int &n)
void	distribute (ScalarStructure energy, Vector3DBlock coords)
void	reduce (ScalarStructure energy, Vector3DBlock coords)
void	reduceSlaves (Real begin, Real end)
void	bcastSlaves (Real begin, Real end)
void	sync ()
void	syncSlave ()
unsigned int	getNumberOfPackages (unsigned int n)
bool	next ()
void	resetNext ()
void	resetNext (const std::vector< int > &blocks)
Static Public Attributes
const bool	isMPI = false
Private Types
enum	WorkState { DONE, SEQUENTIAL, STATIC, SLAVE, MASTER }
Private Member Functions
	Parallel ()
	~Parallel ()
	Parallel (const Parallel &)
Parallel &	operator= (const Parallel &)
Static Private Member Functions
void	kill ()
Parallel &	instance ()
bool	ok (const std::string &err)
WorkState	getWorkState ()
void	nextMaster ()
Static Private Attributes
bool	myInitialized = false
bool	myFinalized = false
int	myId = 0
int	myMasterId = master
int	myNum = 1
int	myAvailableId = 0
int	myAvailableNum = 1
bool	myIsParallel = Parallel::isMPI
bool	myIAmMaster = true
bool	myIAmSlave = true
ParallelType	myMode = ParallelType::STATIC
WorkState	myWorkState = Parallel::SEQUENTIAL
int	myPipeSize = 1
bool	myUseBarrier = false
int	myMaxPackages = -1
int *	myBuffer = NULL
int	myNext = 0
int	myNextRange [2] = {0,0}
std::vector< int >	myDone
std::vector< int >	myBlockList
int	myRecv
int	myI
int	myP
Parallel *	obj = NULL