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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.
41 * \brief Declares high-level functionality for managing assigning
42 * tasks on ranks of a node to hardware on that node.
44 * \author Mark Abraham <mark.j.abraham@gmail.com>
45 * \ingroup module_taskassignment
48 #ifndef GMX_TASKASSIGNMENT_HARDWAREASSIGN_H
49 #define GMX_TASKASSIGNMENT_HARDWAREASSIGN_H
54 #include "gromacs/utility/basedefinitions.h"
56 struct gmx_gpu_info_t;
65 /*! \brief Parse a GPU assignment string into digits
67 * \param[in] gpuTaskAssignment String like "013" or "0,1,3" typically
68 * supplied by the user to mdrun -gpu_id.
70 * \returns A vector of integer GPU ids, like {0, 1, 3}.
72 * \throws std::bad_alloc If out of memory.
73 * InvalidInputError If an invalid character is found (ie not a digit or ',').
75 std::vector<int> parseGpuTaskAssignment(const std::string &gpuTaskAssignment);
77 /*! \brief Assign PP ranks to valid GPU IDs.
79 * Will return a validated mapping from PP ranks (ie tasks that can
80 * run on GPUs) to the device IDs of compatible GPUs on their node.
81 * This will be from any non-empty assignment in \c userGpuIds, otherwise a
82 * default automated mapping is generated.
84 * Note that PME-only ranks have always ignored mdrun -gpu_id, so do
85 * not attempt to validate -gpu_id. They should continue this behaviour
86 * until PME tasks can use GPUs.
88 * \param[in] rankCanUseGpu Whether this rank can execute a task on a GPU.
89 * \param[in] cr Communication record.
90 * \param[in] gpu_info Information detected about GPUs
91 * \param[in] compatibleGpus Vector of GPUs that are compatible
92 * \param[in] userGpuIds The GPU ID task assignment string from the user.
94 * \returns A valid GPU selection.
96 std::vector<int> mapPpRanksToGpus(bool rankCanUseGpu,
98 const gmx_gpu_info_t &gpu_info,
99 const std::vector<int> &compatibleGpus,
100 const std::vector<int> &userGpuIds);
104 /*! \brief Log a report on how GPUs are (or could be) being used on
105 * the ranks of the physical node of rank 0 of the simulation.
107 * \todo It could be useful to report also whether any nodes differed,
110 * \param[out] mdlog Logging object.
111 * \param[in] gpu_info Information detected about GPUs
112 * \param[in] userSetGpuIds Whether the user selected the GPU ids
113 * \param[in] gpuTaskAssignment The selected GPU IDs.
114 * \param[in] numPpRanks Number of PP ranks per node
115 * \param[in] bPrintHostName Print the hostname in the usage information
117 * \throws std::bad_alloc if out of memory */
118 void reportGpuUsage(const gmx::MDLogger &mdlog,
119 const gmx_gpu_info_t &gpu_info,
121 const std::vector<int> &gpuTaskAssignment,
123 bool bPrintHostName);