Also use DD partitioning in serial

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

diff --git a/src/gromacs/mdrun/minimize.cpp b/src/gromacs/mdrun/minimize.cpp
index 07e9d1c7e538a2e5730ea896e8e9571e6451f638..27a7bf1fea371909c42b0eb81dae30c99796c514 100644 (file)
--- a/src/gromacs/mdrun/minimize.cpp
+++ b/src/gromacs/mdrun/minimize.cpp
@@ -1975,6 +1975,10 @@ void LegacySimulator::do_lbfgs()
                     "be available in a different form in a future version of GROMACS, "
                     "e.g. gmx minimize and an .mdp option.");
 
+    if (DOMAINDECOMP(cr))
+    {
+        gmx_fatal(FARGS, "L_BFGS is currently not supported");
+    }
     if (PAR(cr))
     {
         gmx_fatal(FARGS, "L-BFGS minimization only supports a single rank");