Enable splitting of listed interaction calculation

[alexxy/gromacs.git] / src / gromacs / domdec / mdsetup.cpp

diff --git a/src/gromacs/domdec/mdsetup.cpp b/src/gromacs/domdec/mdsetup.cpp
index 6a8559217f633a7300ebf1a9162cba2a4b3b87d6..90f28d18a77bc64e8ea5fcc0c6f6c39caf8e47a0 100644 (file)
--- a/src/gromacs/domdec/mdsetup.cpp
+++ b/src/gromacs/domdec/mdsetup.cpp
@@ -127,7 +127,10 @@ void mdAlgorithmsSetupAtomData(const t_commrec*     cr,
         make_local_shells(cr, mdatoms, shellfc);
     }
 
-    fr->listedForces->setup(top->idef, fr->natoms_force, fr->gpuBonded != nullptr);
+    for (auto& listedForces : fr->listedForces)
+    {
+        listedForces.setup(top->idef, fr->natoms_force, fr->gpuBonded != nullptr);
+    }
 
     if (EEL_PME(fr->ic->eeltype) && (cr->duty & DUTY_PME))
     {