Use ObservablesReducer for check of DD bonded interaction count.

[alexxy/gromacs.git] / src / gromacs / mdrun / simulatorbuilder.cpp

diff --git a/src/gromacs/mdrun/simulatorbuilder.cpp b/src/gromacs/mdrun/simulatorbuilder.cpp
index 87cab10cfe618f9492b7eab65470a4bec6e253c6..d53d456363ead9ce7c9f94b8ffb4046f49ae0cc5 100644 (file)
--- a/src/gromacs/mdrun/simulatorbuilder.cpp
+++ b/src/gromacs/mdrun/simulatorbuilder.cpp
@@ -148,7 +148,9 @@ std::unique_ptr<ISimulator> SimulatorBuilder::build(bool useModularSimulator)
                                                       centerOfMassPulling_->pull_work,
                                                       ionSwapping_->ionSwap,
                                                       topologyData_->top_global,
+                                                      topologyData_->localTopology,
                                                       simulatorStateData_->globalState_p,
+                                                      simulatorStateData_->localState_p,
                                                       simulatorStateData_->observablesHistory_p,
                                                       topologyData_->mdAtoms,
                                                       profiling_->nrnb,
@@ -186,7 +188,9 @@ std::unique_ptr<ISimulator> SimulatorBuilder::build(bool useModularSimulator)
                                                                 centerOfMassPulling_->pull_work,
                                                                 ionSwapping_->ionSwap,
                                                                 topologyData_->top_global,
+                                                                topologyData_->localTopology,
                                                                 simulatorStateData_->globalState_p,
+                                                                simulatorStateData_->localState_p,
                                                                 simulatorStateData_->observablesHistory_p,
                                                                 topologyData_->mdAtoms,
                                                                 profiling_->nrnb,