src/gromacs/hardware/hardwareassign.h

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  35 #ifndef GMX_HARDWARE_HARDWAREASSIGN_H
  36 #define GMX_HARDWARE_HARDWAREASSIGN_H
  37
  38 #include <string>
  39 #include <vector>
  40
  41 #include "gromacs/utility/basedefinitions.h"
  42
  43 struct gmx_gpu_info_t;
  44 struct gmx_hw_opt_t;
  45 struct t_commrec;
  46
  47 namespace gmx
  48 {
  49
  50 /*! \brief Parse a GPU assignment string into digits
  51  *
  52  * \param[in]   gpuTaskAssignment  String like "013" or "0,1,3" typically
  53  *                                 supplied by the user to mdrun -gpu_id.
  54  *
  55  * \returns  A vector of integer GPU ids, like {0, 1, 3}.
  56  *
  57  * \throws   std::bad_alloc     If out of memory.
  58  *           InvalidInputError  If an invalid character is found (ie not a digit or ',').
  59  */
  60 std::vector<int> parseGpuTaskAssignment(const std::string &gpuTaskAssignment);
  61
  62 /*! \brief Assign PP ranks to valid GPU IDs.
  63  *
  64  * Will return a validated mapping from PP ranks (ie tasks that can
  65  * run on GPUs) to the device IDs of compatible GPUs on their node.
  66  * This will be from any non-empty assignment in hw_opt, otherwise a
  67  * default automated mapping is generated.
  68  *
  69  * Note that PME-only ranks have always ignored mdrun -gpu_id, so do
  70  * not attempt to validate -gpu_id. They should continue this behaviour
  71  * until PME tasks can use GPUs.
  72  *
  73  * \param[in]     rankCanUseGpu          Whether this rank can execute a task on a GPU.
  74  * \param[in]     cr                     Communication record.
  75  * \param[in]     gpu_info               Information detected about GPUs, including compatibility.
  76  * \param[in]     hw_opt                 Parallelisation options, including any user-specified GPU task assignment.
  77  *
  78  * \returns  A valid GPU selection.
  79  */
  80 std::vector<int> mapPpRanksToGpus(bool                    rankCanUseGpu,
  81                                   const t_commrec        *cr,
  82                                   const gmx_gpu_info_t   &gpu_info,
  83                                   const gmx_hw_opt_t     &hw_opt);
  84
  85 } // namespace
  86
  87 #endif