src/gromacs/taskassignment/taskassignment.h

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  35 /*! \defgroup module_taskassignment Assigning simulation tasks to hardware (taskassignment)
  36  * \ingroup group_mdrun
  37  * \brief Provides code that manages assignment of simulation tasks to hardware.
  38  */
  39 /*! \libinternal
  40  * \file
  41  * \brief Declares high-level functionality for managing assigning
  42  * tasks on ranks of a node to hardware on that node, and the factory
  43  * function to build the correct flavours of gmx::INodeTaskAssigner
  44  * required to implement the user's requirements.
  45  *
  46  * \author Mark Abraham <mark.j.abraham@gmail.com>
  47  * \ingroup module_taskassignment
  48  * \inlibraryapi
  49  */
  50 #ifndef GMX_TASKASSIGNMENT_TASKASSIGNMENT_H
  51 #define GMX_TASKASSIGNMENT_TASKASSIGNMENT_H
  52
  53 #include <vector>
  54
  55 struct gmx_hw_info_t;
  56 struct gmx_multisim_t;
  57 struct t_commrec;
  58
  59 enum class PmeRunMode;
  60
  61 namespace gmx
  62 {
  63
  64 class MDLogger;
  65 class PhysicalNodeCommunicator;
  66
  67 /*! \brief Types of compute tasks that can be run on a GPU.
  68  *
  69  * These names refer to existing practice in GROMACS, which is not
  70  * strictly accurate. */
  71 enum class GpuTask : int
  72 {
  73     //! Short-ranged interactions.
  74     Nonbonded,
  75     //! Long-ranged interactions.
  76     Pme
  77 };
  78
  79 /*! \libinternal
  80  * \brief Specifies the GPU deviceID_ available for task_ to use. */
  81 struct GpuTaskMapping
  82 {
  83     //! The type of this GPU task.
  84     GpuTask task_;
  85     //! Device ID on this node to which this GPU task is mapped.
  86     int     deviceId_;
  87 };
  88
  89 //! Container of GPU tasks on a rank, specifying the task type and GPU device ID, e.g. potentially ready for consumption by the modules on that rank.
  90 using GpuTaskAssignment = std::vector <GpuTaskMapping>;
  91 //! Container of compute tasks suitable to run on a GPU e.g. on each rank of a node.
  92 using GpuTasksOnRanks = std::vector< std::vector<GpuTask> >;
  93 //! Container of RankGpuTaskAssignments e.g. for all ranks on a node.
  94 using GpuTaskAssignments = std::vector<GpuTaskAssignment>;
  95
  96 /*! \brief Coordinate the final stages of task assignment and
  97  * reporting, and return the assignment for this rank.
  98  *
  99  * Communicates between ranks on a node to coordinate task assignment
 100  * between them onto available hardware, e.g. accelerators.
 101  *
 102  * Releases the taskAssigner once its work is complete.
 103  *
 104  * \param[in]  gpuIdsToUse                The compatible GPUs that the user permitted us to use.
 105  * \param[in]  userGpuTaskAssignment      The user-specified assignment of GPU tasks to device IDs.
 106  * \param[in]  hardwareInfo               The detected hardware
 107  * \param[in]  mdlog                      Logging object to write to.
 108  * \param[in]  cr                         Communication object.
 109  * \param[in]  ms                         Multi-simulation handler.
 110  * \param[in]  physicalNodeComm           Communication object for this physical node.
 111  * \param[in]  gpuTasksOnThisRank         Information about what GPU tasks
 112  *                                        exist on this rank.
 113  * \param[in]  useGpuForBonded            Whether GPU PP tasks will do bonded work on the GPU
 114  * \param[in]  pmeRunMode                 Describes the execution of PME tasks
 115  *
 116  * \returns  A GPU task assignment for this rank.
 117  *
 118  * \throws   std::bad_alloc          If out of memory.
 119  *           InconsistentInputError  If user and/or detected inputs are inconsistent.
 120  */
 121 GpuTaskAssignments::value_type
 122 runTaskAssignment(const std::vector<int>         &gpuIdsToUse,
 123                   const std::vector<int>         &userGpuTaskAssignment,
 124                   const gmx_hw_info_t            &hardwareInfo,
 125                   const MDLogger                 &mdlog,
 126                   const t_commrec                *cr,
 127                   const gmx_multisim_t           *ms,
 128                   const PhysicalNodeCommunicator &physicalNodeComm,
 129                   const std::vector<GpuTask>     &gpuTasksOnThisRank,
 130                   bool                            useGpuForBonded,
 131                   PmeRunMode                      pmeRunMode);
 132
 133 //! Function for whether the task of \c mapping has value \c TaskType.
 134 template<GpuTask TaskType>
 135 bool hasTaskType(const GpuTaskMapping &mapping)
 136 {
 137     return mapping.task_ == TaskType;
 138 }
 139
 140 }  // namespace gmx
 141
 142 #endif