Add env.var. to disable update groups

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

diff --git a/src/gromacs/domdec/domdec.cpp b/src/gromacs/domdec/domdec.cpp
index 03371c1994585c1037938cafe981dccc87acfdde..48c3f849639be097b74b91e5912fb29fb982b026 100644 (file)
--- a/src/gromacs/domdec/domdec.cpp
+++ b/src/gromacs/domdec/domdec.cpp
@@ -2088,7 +2088,9 @@ static void setupUpdateGroups(const gmx::MDLogger &mdlog,
     }
 
     comm->updateGroupingPerMoleculetype = gmx::makeUpdateGroups(mtop);
-    comm->useUpdateGroups               = !comm->updateGroupingPerMoleculetype.empty();
+    comm->useUpdateGroups               =
+        (!comm->updateGroupingPerMoleculetype.empty() &&
+         getenv("GMX_NO_UPDATEGROUPS") == nullptr);
 
     if (comm->useUpdateGroups)
     {