src/gromacs/taskassignment/taskassignment.h

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   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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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 t_commrec;
  57
  58 namespace gmx
  59 {
  60
  61 class MDLogger;
  62
  63 /*! \brief Types of compute tasks that can be run on a GPU.
  64  *
  65  * These names refer to existing practice in GROMACS, which is not
  66  * strictly accurate. */
  67 enum class GpuTask : int
  68 {
  69     //! Short-ranged interactions.
  70     Nonbonded,
  71     //! Long-ranged interactions.
  72     Pme
  73 };
  74
  75 /*! \libinternal
  76  * \brief Specifies the GPU deviceID_ available for task_ to use. */
  77 struct GpuTaskMapping
  78 {
  79     //! The type of this GPU task.
  80     GpuTask task_;
  81     //! Device ID on this node to which this GPU task is mapped.
  82     int     deviceId_;
  83 };
  84
  85 //! 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.
  86 using GpuTaskAssignment = std::vector <GpuTaskMapping>;
  87 //! Container of compute tasks suitable to run on a GPU e.g. on each rank of a node.
  88 using GpuTasksOnRanks = std::vector< std::vector<GpuTask> >;
  89 //! Container of RankGpuTaskAssignments e.g. for all ranks on a node.
  90 using GpuTaskAssignments = std::vector<GpuTaskAssignment>;
  91
  92 /*! \brief Coordinate the final stages of task assignment and
  93  * reporting, and return the assignment for this rank.
  94  *
  95  * Communicates between ranks on a node to coordinate task assignment
  96  * between them onto available hardware, e.g. accelerators.
  97  *
  98  * Releases the taskAssigner once its work is complete.
  99  *
 100  * \param[in]  gpuIdsToUse                The compatible GPUs that the user permitted us to use.
 101  * \param[in]  userGpuTaskAssignment      The user-specified assignment of GPU tasks to device IDs.
 102  * \param[in]  hardwareInfo               The detected hardware
 103  * \param[in]  mdlog                      Logging object to write to.
 104  * \param[in]  cr                         Communication object.
 105  * \param[in]  gpuTasksOnThisRank         Information about what GPU tasks
 106  *                                        exist on this rank.
 107  *
 108  * \returns  A GPU task assignment for this rank.
 109  *
 110  * \throws   std::bad_alloc          If out of memory.
 111  *           InconsistentInputError  If user and/or detected inputs are inconsistent.
 112  */
 113 GpuTaskAssignments::value_type
 114 runTaskAssignment(const std::vector<int>     &gpuIdsToUse,
 115                   const std::vector<int>     &userGpuTaskAssignment,
 116                   const gmx_hw_info_t        &hardwareInfo,
 117                   const MDLogger             &mdlog,
 118                   const t_commrec            *cr,
 119                   const std::vector<GpuTask> &gpuTasksOnThisRank);
 120
 121 //! Function for whether the task of \c mapping has value \c TaskType.
 122 template<GpuTask TaskType>
 123 bool hasTaskType(const GpuTaskMapping &mapping)
 124 {
 125     return mapping.task_ == TaskType;
 126 }
 127
 128 } // namespace
 129
 130 #endif