Make orires work with DD particle reordering

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

diff --git a/src/gromacs/mdrun/md.cpp b/src/gromacs/mdrun/md.cpp
index e83d93640b6f97f5b5931036cce5482102d85da0..11ae4fab7baf53d91d1fb4e532109b810c5f52c2 100644 (file)
--- a/src/gromacs/mdrun/md.cpp
+++ b/src/gromacs/mdrun/md.cpp
@@ -276,7 +276,7 @@ void gmx::LegacySimulator::do_md()
     }
     const bool useReplicaExchange = (replExParams.exchangeInterval > 0);
 
-    const t_fcdata& fcdata = *fr->fcdata;
+    t_fcdata& fcdata = *fr->fcdata;
 
     bool simulationsShareState = false;
     int  nstSignalComm         = nstglobalcomm;
@@ -1218,7 +1218,7 @@ void gmx::LegacySimulator::do_md()
                                  cr,
                                  state,
                                  mdAtoms->mdatoms(),
-                                 fcdata,
+                                 &fcdata,
                                  &MassQ,
                                  &vcm,
                                  top,
@@ -1466,7 +1466,7 @@ void gmx::LegacySimulator::do_md()
                                   cr,
                                   state,
                                   mdAtoms->mdatoms(),
-                                  fcdata,
+                                  &fcdata,
                                   &MassQ,
                                   &vcm,
                                   pull_work,
@@ -1599,7 +1599,7 @@ void gmx::LegacySimulator::do_md()
                                   gmx::arrayRefFromArray(md->invMassPerDim, md->nr),
                                   state,
                                   forceCombined,
-                                  fcdata,
+                                  &fcdata,
                                   ekind,
                                   M,
                                   etrtPOSITION,