Merge branch origin/release-2020 into master

[alexxy/gromacs.git] / src / gromacs / ewald / pme_load_balancing.cpp

diff --git a/src/gromacs/ewald/pme_load_balancing.cpp b/src/gromacs/ewald/pme_load_balancing.cpp
index 4cd569105dd23918d4d192fa2c173238b9c213f0..f6bfccd9484a9911f091e9640f11ac4b008a67ce 100644 (file)
--- a/src/gromacs/ewald/pme_load_balancing.cpp
+++ b/src/gromacs/ewald/pme_load_balancing.cpp
@@ -1,8 +1,8 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
- * Copyright (c) 2020, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2016 by the GROMACS development team.
+ * Copyright (c) 2017,2018,2019,2020, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -80,6 +80,7 @@
 #include "gromacs/utility/strconvert.h"
 
 #include "pme_internal.h"
+#include "pme_pp.h"
 
 /*! \brief Parameters and settings for one PP-PME setup */
 struct pme_setup_t
@@ -680,9 +681,10 @@ static void pme_load_balance(pme_load_balancing_t*          pme_lb,
                 pme_lb->elimited = epmelblimMAXSCALING;
             }
 
-            if (OK && ir.ePBC != epbcNONE)
+            if (OK && ir.pbcType != PbcType::No)
             {
-                OK = (gmx::square(pme_lb->setup[pme_lb->cur + 1].rlistOuter) <= max_cutoff2(ir.ePBC, box));
+                OK = (gmx::square(pme_lb->setup[pme_lb->cur + 1].rlistOuter)
+                      <= max_cutoff2(ir.pbcType, box));
                 if (!OK)
                 {
                     pme_lb->elimited = epmelblimBOX;