Added functionality that allows MdModules to disable PME-only ranks during simulation...

[alexxy/gromacs.git] / src / gromacs / utility / mdmodulenotification.h

diff --git a/src/gromacs/utility/mdmodulenotification.h b/src/gromacs/utility/mdmodulenotification.h
index b5df1e334096f7213d7e146870077140e390b936..8854152fe68347d92ae830fd434bec3f2561f09c 100644 (file)
--- a/src/gromacs/utility/mdmodulenotification.h
+++ b/src/gromacs/utility/mdmodulenotification.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, 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.
@@ -59,6 +59,7 @@ class KeyValueTreeObject;
 class KeyValueTreeObjectBuilder;
 class LocalAtomSetManager;
 class IndexGroupsAndNames;
+class SeparatePmeRanksPermitted;
 struct MdModulesCheckpointReadingDataOnMaster;
 struct MdModulesCheckpointReadingBroadcast;
 struct MdModulesWriteCheckpointData;
@@ -200,6 +201,8 @@ struct MdModulesNotifier
      * MdModulesEnergyOutputToDensityFittingRequestChecker* enables modules to
      *                      report if they want to write their energy output
      *                      to the density fitting field in the energy files
+     * SeparatePmeRanksPermitted* enables modules to report if they want
+     *                      to disable dedicated PME ranks
      * const PbcType& provides modules with the periodic boundary condition type
      *                that is used during the simulation
      * const SimulationTimeStep& provides modules with the simulation time-step
@@ -211,6 +214,7 @@ struct MdModulesNotifier
     registerMdModuleNotification<const KeyValueTreeObject&,
                                  LocalAtomSetManager*,
                                  MdModulesEnergyOutputToDensityFittingRequestChecker*,
+                                 SeparatePmeRanksPermitted*,
                                  const PbcType&,
                                  const SimulationTimeStep&,
                                  const t_commrec&>::type simulationSetupNotifications_;