Fix bug with 2D/3D triclinic DD
authorBerk Hess <hess@kth.se>
Wed, 27 Jun 2018 12:14:42 +0000 (14:14 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 27 Jun 2018 22:34:47 +0000 (00:34 +0200)
Recent commit 68ec0470 introduced a bug with detecting triclinic
dimensions during communication setup for 2D and 3D decomposition.

Change-Id: I345fd5f4387d3dc81b96ce14af185c02194b7087

src/gromacs/domdec/domdec.cpp

index b267afccf580c23f9b92c0a62c7e2ee8a8fd6c44..7d8df77ad30fdd262b35ffee95979b9b7ae3a2f1 100644 (file)
@@ -5307,7 +5307,7 @@ static void setup_dd_communication(gmx_domdec_t *dd,
         bool distanceIsTriclinic = false;
         for (i = 0; i <= dim_ind; i++)
         {
-            if (ddbox->tric_dir[dim])
+            if (ddbox->tric_dir[dd->dim[i]])
             {
                 distanceIsTriclinic = true;
             }