ChemistryLib::PhreeqcIOData::PhreeqcInstancePool Class Reference

Detailed Description

Manages a pool of independent IPhreeqc instances for thread-safe parallel chemistry calculations.

Each OpenMP thread uses its own PHREEQC instance to avoid thread-safety issues. All instances are initialized with the same thermodynamic database.

Definition at line 18 of file PhreeqcInstancePool.h.

#include <PhreeqcInstancePool.h>

Public Member Functions
	PhreeqcInstancePool (std::string const &database, int num_instances)
	~PhreeqcInstancePool ()
	PhreeqcInstancePool (PhreeqcInstancePool const &)=delete
PhreeqcInstancePool &	operator= (PhreeqcInstancePool const &)=delete
int	getInstanceForThread (int thread_id) const
int	size () const
	Returns the number of instances in the pool.

Static Public Member Functions
static int	createInstance (std::string const &database)
static void	configureForStringIO (int id)

Private Attributes
std::vector< int >	instance_ids_

Constructor & Destructor Documentation

PhreeqcInstancePool() [1/2]

ChemistryLib::PhreeqcIOData::PhreeqcInstancePool::PhreeqcInstancePool	(	std::string const &	database,
		int	num_instances )

Creates a pool of PHREEQC instances.

Parameters

database	Path to the thermodynamic database file.
num_instances	Number of instances to create (one per thread).

Definition at line 50 of file PhreeqcInstancePool.cpp.

{
    if (num_instances < 1)
    {
        OGS_FATAL("PhreeqcInstancePool requires at least 1 instance, got {}.",
                  num_instances);
    }
 
    instance_ids_.reserve(num_instances);
    for (int i = 0; i < num_instances; ++i)
    {
        int const id = createInstance(database);
        configureForStringIO(id);
        instance_ids_.push_back(id);
    }
 
    INFO("Created {} PHREEQC instances for parallel chemistry execution.",
         num_instances);
}

References configureForStringIO(), createInstance(), INFO(), instance_ids_, and OGS_FATAL.

Referenced by PhreeqcInstancePool(), and operator=().

~PhreeqcInstancePool()

ChemistryLib::PhreeqcIOData::PhreeqcInstancePool::~PhreeqcInstancePool

(

)

Definition at line 71 of file PhreeqcInstancePool.cpp.

{
    for (int const id : instance_ids_)
    {
        DestroyIPhreeqc(id);
    }
}

References instance_ids_.

PhreeqcInstancePool() [2/2]

ChemistryLib::PhreeqcIOData::PhreeqcInstancePool::PhreeqcInstancePool ( PhreeqcInstancePool const & )

delete

References PhreeqcInstancePool().

Member Function Documentation

configureForStringIO()

void ChemistryLib::PhreeqcIOData::PhreeqcInstancePool::configureForStringIO ( int id )

static

Configures an IPhreeqc instance for string-based I/O: disables file output and enables in-memory buffers for selected output and dump.

Definition at line 35 of file PhreeqcInstancePool.cpp.

{
    SetSelectedOutputFileOn(id, 0);
    if (SetSelectedOutputStringOn(id, 1) != IPQ_OK)
    {
        OGS_FATAL("Failed to enable string output for PHREEQC instance {}.",
                  id);
    }
    SetDumpFileOn(id, 0);
    if (SetDumpStringOn(id, 1) != IPQ_OK)
    {
        OGS_FATAL("Failed to enable dump string for PHREEQC instance {}.", id);
    }
}

References OGS_FATAL.

Referenced by PhreeqcInstancePool().

createInstance()

int ChemistryLib::PhreeqcIOData::PhreeqcInstancePool::createInstance ( std::string const & database )

static

Creates a new IPhreeqc instance and loads the thermodynamic database. Returns the instance id. Fatals on failure.

Definition at line 15 of file PhreeqcInstancePool.cpp.

{
    int const id = CreateIPhreeqc();
    if (id < 0)
    {
        OGS_FATAL(
            "Failed to create PHREEQC instance (IPQ_RESULT error code = {}).",
            id);
    }
    if (LoadDatabase(id, database.c_str()) != IPQ_OK)
    {
        OutputErrorString(id);
        OGS_FATAL(
            "Failed to load thermodynamic database '{:s}' for PHREEQC "
            "instance {}.",
            database, id);
    }
    return id;
}

References OGS_FATAL.

Referenced by PhreeqcInstancePool(), and ChemistryLib::PhreeqcIOData::PhreeqcIO::PhreeqcIO().

getInstanceForThread()

int ChemistryLib::PhreeqcIOData::PhreeqcInstancePool::getInstanceForThread

(

int

thread_id

)

const

Returns the PHREEQC instance ID for the given thread.

Parameters

thread_id

The OpenMP thread ID (0-based).

Returns

The IPhreeqc instance ID to use for this thread.

Definition at line 79 of file PhreeqcInstancePool.cpp.

{
    if (thread_id < 0 || thread_id >= static_cast<int>(instance_ids_.size()))
    {
        OGS_FATAL(
            "Thread ID {} is out of range [0, {}). This indicates a bug in "
            "the parallel chemistry implementation.",
            thread_id, instance_ids_.size());
    }
    return instance_ids_[thread_id];
}

References instance_ids_, and OGS_FATAL.

operator=()

PhreeqcInstancePool & ChemistryLib::PhreeqcIOData::PhreeqcInstancePool::operator= ( PhreeqcInstancePool const & )

delete

References PhreeqcInstancePool().

size()

int ChemistryLib::PhreeqcIOData::PhreeqcInstancePool::size ( ) const

inline

Returns the number of instances in the pool.

Definition at line 38 of file PhreeqcInstancePool.h.

{ return static_cast<int>(instance_ids_.size()); }

References instance_ids_.

Member Data Documentation

instance_ids_

std::vector<int> ChemistryLib::PhreeqcIOData::PhreeqcInstancePool::instance_ids_

private

Definition at line 49 of file PhreeqcInstancePool.h.

Referenced by PhreeqcInstancePool(), ~PhreeqcInstancePool(), getInstanceForThread(), and size().

---

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

• PhreeqcInstancePool.h
• PhreeqcInstancePool.cpp