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colvarproxy_smp Class Reference

\brief Methods for SMP parallelization. More...

#include <colvarproxy.h>

Inheritance diagram for colvarproxy_smp:

List of all members.

Public Methods
	colvarproxy_smp ()
	Constructor. More...
virtual	~colvarproxy_smp ()
	Destructor. More...
virtual int	smp_enabled ()
	Whether threaded parallelization is available (TODO: make this a cvm::deps feature). More...
virtual int	smp_colvars_loop ()
	Distribute calculation of colvars (and their components) across threads. More...
virtual int	smp_biases_loop ()
	Distribute calculation of biases across threads. More...
virtual int	smp_biases_script_loop ()
	Distribute calculation of biases across threads 2nd through last, with all scripted biased on 1st thread. More...
virtual int	smp_thread_id ()
	Index of this thread. More...
virtual int	smp_num_threads ()
	Number of threads sharing this address space. More...
virtual int	smp_lock ()
	Lock the proxy's shared data for access by a thread, if threads are implemented; if not implemented, does nothing. More...
virtual int	smp_trylock ()
	Attempt to lock the proxy's shared data. More...
virtual int	smp_unlock ()
	Release the lock. More...
Public Attributes
bool	b_smp_active
	Whether threaded parallelization should be used (TODO: make this a cvm::deps feature). More...
Protected Attributes
omp_lock_t *	omp_lock_state
	Lock state for OpenMP. More...

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Detailed Description

\brief Methods for SMP parallelization.

Definition at line 454 of file colvarproxy.h.

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Constructor & Destructor Documentation

colvarproxy_smp::colvarproxy_smp (    )

Constructor. Definition at line 258 of file colvarproxy.C. References b_smp_active, NULL, and omp_lock_state.

colvarproxy_smp::~colvarproxy_smp (    )  [virtual]

Destructor. Definition at line 271 of file colvarproxy.C. References omp_lock_state.

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Member Function Documentation

int colvarproxy_smp::smp_biases_loop (    )  [virtual]

Distribute calculation of biases across threads. Definition at line 320 of file colvarproxy.C. References colvarmodule::biases_active, COLVARS_NOT_IMPLEMENTED, colvarmodule::debug, colvarmodule::get_error, colvarmodule::log, colvarmodule::main, colvarbias::name, smp_thread_id, and colvarbias::update. Referenced by colvarmodule::calc_biases.

int colvarproxy_smp::smp_biases_script_loop (    )  [virtual]

Distribute calculation of biases across threads 2nd through last, with all scripted biased on 1st thread. Definition at line 343 of file colvarproxy.C. References colvarmodule::biases_active, colvarmodule::calc_scripted_forces, COLVARS_NOT_IMPLEMENTED, colvarmodule::debug, colvarmodule::get_error, colvarmodule::log, colvarmodule::main, colvarbias::name, smp_thread_id, and colvarbias::update. Referenced by colvarmodule::calc_biases.

int colvarproxy_smp::smp_colvars_loop (    )  [virtual]

Distribute calculation of colvars (and their components) across threads. Definition at line 296 of file colvarproxy.C. References colvar::calc_cvcs, COLVARS_NOT_IMPLEMENTED, colvarmodule::debug, colvarmodule::get_error, colvarmodule::log, colvarmodule::main, colvar::name, colvarmodule::proxy, smp_num_threads, smp_thread_id, colvarmodule::to_str, colvarmodule::variables_active_smp, and colvarmodule::variables_active_smp_items. Referenced by colvarmodule::calc_colvars.

int colvarproxy_smp::smp_enabled (    )  [virtual]

Whether threaded parallelization is available (TODO: make this a cvm::deps feature). Definition at line 283 of file colvarproxy.C. References COLVARS_ERROR, and COLVARS_NOT_IMPLEMENTED. Referenced by colvarmodule::calc_biases, colvarmodule::calc_colvars, colvarmodule::colvarmodule, colvarmodule::depth, and colvarproxy::io_available.

int colvarproxy_smp::smp_lock (    )  [virtual]

Lock the proxy's shared data for access by a thread, if threads are implemented; if not implemented, does nothing. Definition at line 392 of file colvarproxy.C. References omp_lock_state. Referenced by colvarmodule::clear_error, colvarmodule::depth, and colvarmodule::set_error_bits.

int colvarproxy_smp::smp_num_threads (    )  [virtual]

Number of threads sharing this address space. Definition at line 382 of file colvarproxy.C. Referenced by colvarmodule::depth, and smp_colvars_loop.

int colvarproxy_smp::smp_thread_id (    )  [virtual]

Index of this thread. Definition at line 372 of file colvarproxy.C. Referenced by colvarmodule::depth, colvarproxy::io_available, smp_biases_loop, smp_biases_script_loop, smp_colvars_loop, and colvarmodule::~colvarmodule.

int colvarproxy_smp::smp_trylock (    )  [virtual]

Attempt to lock the proxy's shared data. Definition at line 401 of file colvarproxy.C. References COLVARS_ERROR, and omp_lock_state.

int colvarproxy_smp::smp_unlock (    )  [virtual]

Release the lock. Definition at line 411 of file colvarproxy.C. References omp_lock_state. Referenced by colvarmodule::clear_error, colvarmodule::depth, and colvarmodule::set_error_bits.

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Member Data Documentation

bool colvarproxy_smp::b_smp_active

Whether threaded parallelization should be used (TODO: make this a cvm::deps feature). Definition at line 466 of file colvarproxy.h. Referenced by colvarproxy_smp, and colvarmodule::parse_global_params.

omp_lock_t* colvarproxy_smp::omp_lock_state [protected]

Lock state for OpenMP. Definition at line 498 of file colvarproxy.h. Referenced by colvarproxy_smp, smp_lock, smp_trylock, smp_unlock, and ~colvarproxy_smp.

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

• colvarproxy.h
• colvarproxy.C

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