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Avoid RNG copy and initialization in QMCDriverNew.

This commit is contained in:
Ye Luo 2019-10-24 23:26:37 -05:00
parent 612b5b1643
commit ef832e5b5c
1 changed files with 10 additions and 14 deletions
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24
src/QMCDrivers/QMCDriverNew.cpp
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@ -89,7 +89,11 @@ int QMCDriverNew::addObservable(const std::string& aname)
QMCDriverNew::RealType QMCDriverNew::getObservable(int i) { return estimator_manager_->getObservable(i); }
QMCDriverNew::~QMCDriverNew() {}
QMCDriverNew::~QMCDriverNew()
{
for(int i = 0; i < Rng.size(); ++i)
RandomNumberControl::Children[i] = Rng[i].release();
}
void QMCDriverNew::add_H_and_Psi(QMCHamiltonian* h, TrialWaveFunction* psi)
{
@ -114,16 +118,6 @@ void QMCDriverNew::add_H_and_Psi(QMCHamiltonian* h, TrialWaveFunction* psi)
*/
void QMCDriverNew::process(xmlNodePtr cur)
{
// if (qmcdriver_input_.get_reset_random() || RandomNumberControl)
// {
// if seeds are not made then neither are the children. So when MoveContexts are created a segfault occurs.
// For now it is unclear whether get_reset_random should always be true on the first run or what.
app_log() << " Regenerate random seeds." << std::endl;
RandomNumberControl::make_seeds();
// }
setupWalkers();
// If you really want to persist the MCPopulation it is not the business of QMCDriver to reset it.
@ -370,9 +364,11 @@ void QMCDriverNew::createRngsStepContexts()
for(int i = 0; i < num_crowds_; ++i)
{
Rng[i].reset(new RandomGenerator_t(*(RandomNumberControl::Children[i])));
step_contexts_[i].reset(new ContextForSteps(crowds_[i]->size(), population_.get_num_particles(),
population_.get_particle_group_indexes(), *(Rng[i])));
Rng[i].reset(RandomNumberControl::Children[i]);
// Ye: RandomNumberControl::Children needs to be replaced with unique_ptr and use Rng[i].swap()
RandomNumberControl::Children[i] = nullptr;
step_contexts_[i] = std::make_unique<ContextForSteps>(crowds_[i]->size(), population_.get_num_particles(),
population_.get_particle_group_indexes(), *(Rng[i]));
}
}