Add check for coupled constraints for CUDA update

[alexxy/gromacs.git] / src / gromacs / taskassignment / decidegpuusage.h

diff --git a/src/gromacs/taskassignment/decidegpuusage.h b/src/gromacs/taskassignment/decidegpuusage.h
index d564043ca00d227be02b69cd0062e06728e3eec8..5bbc1b231c97081b8a1c27a0d5d08c932f640162 100644 (file)
--- a/src/gromacs/taskassignment/decidegpuusage.h
+++ b/src/gromacs/taskassignment/decidegpuusage.h
@@ -238,7 +238,7 @@ bool decideWhetherToUseGpusForBonded(bool       useGpuForNonbonded,
  * \param[in]  updateTarget              User choice for running simulation on GPU.
  * \param[in]  gpusWereDetected          Whether compatible GPUs were detected on any node.
  * \param[in]  inputrec                  The user input.
- * \param[in]  haveVSites                If there are virtual sites in the system.
+ * \param[in]  mtop                      The global topology.
  * \param[in]  useEssentialDynamics      If essential dynamics is active.
  * \param[in]  doOrientationRestraints   If orientation restraints are enabled.
  * \param[in]  useReplicaExchange        If this is a REMD simulation.
@@ -254,7 +254,7 @@ bool decideWhetherToUseGpuForUpdate(bool              forceGpuUpdateDefaultOn,
                                     TaskTarget        updateTarget,
                                     bool              gpusWereDetected,
                                     const t_inputrec& inputrec,
-                                    bool              haveVSites,
+                                    const gmx_mtop_t& mtop,
                                     bool              useEssentialDynamics,
                                     bool              doOrientationRestraints,
                                     bool              useReplicaExchange);