Improve DLB+PME tuning with GPUs

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

diff --git a/src/gromacs/domdec/domdec.h b/src/gromacs/domdec/domdec.h
index 645dbcc951e42a61247ea01596f85829281f5f37..f7cf983207e535207454e8c72c6544e2fe21fcec 100644 (file)
--- a/src/gromacs/domdec/domdec.h
+++ b/src/gromacs/domdec/domdec.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2005,2006,2007,2008,2009,2010,2012,2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2005,2006,2007,2008,2009,2010,2012,2013,2014,2015, 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.
@@ -173,16 +173,23 @@ gmx_bool change_dd_cutoff(t_commrec *cr, t_state *state, t_inputrec *ir,
  *
  * Domain boundary changes due to the DD dynamic load balancing can limit
  * the cut-off distance that can be set in change_dd_cutoff. This function
- * limits the DLB such that using the currently set cut-off should still be
- * possible after subsequently setting a shorter cut-off with change_dd_cutoff.
+ * sets/changes the DLB limit such that using the passed (pair-list) cut-off
+ * should still be possible after subsequently setting a shorter cut-off
+ * with change_dd_cutoff.
  */
-void change_dd_dlb_cutoff_limit(t_commrec *cr);
+void set_dd_dlb_max_cutoff(t_commrec *cr, real cutoff);
+
+/*! \brief Return if we are currently using dynamic load balancing */
+gmx_bool dd_dlb_is_on(const gmx_domdec_t *dd);
 
 /*! \brief Return if the DLB lock is set */
 gmx_bool dd_dlb_is_locked(const gmx_domdec_t *dd);
 
-/*! \brief Set a lock such that with DLB=auto DLB can (not) get turned on */
-void dd_dlb_set_lock(gmx_domdec_t *dd, gmx_bool bValue);
+/*! \brief Set a lock such that with DLB=auto DLB cannot get turned on */
+void dd_dlb_lock(gmx_domdec_t *dd);
+
+/*! \brief Clear a lock such that with DLB=auto DLB may get turned on later */
+void dd_dlb_unlock(gmx_domdec_t *dd);
 
 /*! \brief Set up communication for averaging GPU wait times over ranks
  *