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added Random slump parameter for tempering #434

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merged 1 commit into from
Jun 25, 2023
Merged

added Random slump parameter for tempering #434

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4 changes: 2 additions & 2 deletions src/move.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -725,11 +725,11 @@ void ParallelTempering::exchangeState(Change& change) {

void ParallelTempering::_move(Change& change) {
mpi.world.barrier(); // wait until all ranks reach here
if (!MPI::checkRandomEngineState(mpi.world, Move::slump)) {
if (!MPI::checkRandomEngineState(mpi.world, slump)) {
faunus_logger->error("Random numbers out of sync across MPI nodes. Do not use 'hardware' seed.");
mpi.world.abort(1); // neighbor search *requires* that random engines are in sync
}
partner->generate(mpi.world, Move::slump);
partner->generate(mpi.world, slump);
if (partner->rank.has_value()) {
exchangeState(change);
}
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2 changes: 1 addition & 1 deletion src/move.h
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Expand Up @@ -532,7 +532,7 @@ class ParallelTempering : public Move {
std::unique_ptr<MPI::Partner> partner; //!< Policy for finding MPI partners
Geometry::VolumeMethod volume_scaling_method = Geometry::VolumeMethod::ISOTROPIC; //!< How to scale volumes
std::map<MPI::Partner::PartnerPair, Average<double>> acceptance_map; //!< Exchange statistics

Random slump; // static instance of Random (shared for all in ParallelTempering)
void _to_json(json& j) const override;
void _from_json(const json& j) override;
void _move(Change& change) override;
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