Disable PME Mixed mode with FEP

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

diff --git a/src/gromacs/taskassignment/decidegpuusage.h b/src/gromacs/taskassignment/decidegpuusage.h
index 765636c448dec7cb1f69c683270c0bfc1b3322f6..8f16f25ae80b198aabf6cb2116ff741bc976ca32 100644 (file)
--- a/src/gromacs/taskassignment/decidegpuusage.h
+++ b/src/gromacs/taskassignment/decidegpuusage.h
@@ -136,6 +136,7 @@ bool decideWhetherToUseGpusForNonbondedWithThreadMpi(TaskTarget              non
  * \param[in]  useGpuForNonbonded        Whether GPUs will be used for nonbonded interactions.
  * \param[in]  pmeTarget                 The user's choice for mdrun -pme for where to assign
  *                                       long-ranged PME nonbonded interaction tasks.
+ * \param[in]  pmeFftTarget              The user's choice for mdrun -pmefft for where to run FFT.
  * \param[in]  numDevicesToUse           The number of compatible GPUs that the user permitted us to use.
  * \param[in]  userGpuTaskAssignment     The user-specified assignment of GPU tasks to device IDs.
  * \param[in]  hardwareInfo              Hardware information
@@ -149,6 +150,7 @@ bool decideWhetherToUseGpusForNonbondedWithThreadMpi(TaskTarget              non
  *             InconsistentInputError  If the user requirements are inconsistent. */
 bool decideWhetherToUseGpusForPmeWithThreadMpi(bool                    useGpuForNonbonded,
                                                TaskTarget              pmeTarget,
+                                               TaskTarget              pmeFftTarget,
                                                int                     numDevicesToUse,
                                                const std::vector<int>& userGpuTaskAssignment,
                                                const gmx_hw_info_t&    hardwareInfo,
@@ -208,6 +210,7 @@ bool decideWhetherToUseGpusForNonbonded(TaskTarget              nonbondedTarget,
  *
  * \param[in]  useGpuForNonbonded        Whether GPUs will be used for nonbonded interactions.
  * \param[in]  pmeTarget                 The user's choice for mdrun -pme for where to assign long-ranged PME nonbonded interaction tasks.
+ * \param[in]  pmeFftTarget              The user's choice for mdrun -pmefft for where to do FFT for PME.
  * \param[in]  userGpuTaskAssignment     The user-specified assignment of GPU tasks to device IDs.
  * \param[in]  hardwareInfo              Hardware information
  * \param[in]  inputrec                  The user input
@@ -221,6 +224,7 @@ bool decideWhetherToUseGpusForNonbonded(TaskTarget              nonbondedTarget,
  *             InconsistentInputError  If the user requirements are inconsistent. */
 bool decideWhetherToUseGpusForPme(bool                    useGpuForNonbonded,
                                   TaskTarget              pmeTarget,
+                                  TaskTarget              pmeFftTarget,
                                   const std::vector<int>& userGpuTaskAssignment,
                                   const gmx_hw_info_t&    hardwareInfo,
                                   const t_inputrec&       inputrec,