Merge release-5-0 into master

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

diff --git a/src/gromacs/domdec/domdec.cpp b/src/gromacs/domdec/domdec.cpp
index 6074bcc9ab5ed6b640e121d08bb7d3cca9b5b9e6..f70b5c902d483c1398212b4ff11c54ce97efa2bd 100644 (file)
--- a/src/gromacs/domdec/domdec.cpp
+++ b/src/gromacs/domdec/domdec.cpp
@@ -6835,13 +6835,13 @@ gmx_domdec_t *init_domain_decomposition(FILE *fplog, t_commrec *cr,
                 comm->cutoff       = std::max(comm->cutoff, comm->cutoff_mbody);
             }
         }
-        comm->cellsize_limit = std::max(comm->cellsize_limit, r_bonded_limit);
         if (fplog)
         {
             fprintf(fplog,
                     "Minimum cell size due to bonded interactions: %.3f nm\n",
-                    comm->cellsize_limit);
+                    r_bonded_limit);
         }
+        comm->cellsize_limit = std::max(comm->cellsize_limit, r_bonded_limit);
     }
 
     if (dd->bInterCGcons && rconstr <= 0)