src/gromacs/hardware/hw_info.h

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  35 #ifndef GMX_HARDWARE_HWINFO_H
  36 #define GMX_HARDWARE_HWINFO_H
  37
  38 #include <string>
  39 #include <vector>
  40
  41 #include "gromacs/hardware/gpu_hw_info.h"
  42 #include "gromacs/utility/basedefinitions.h"
  43
  44 namespace gmx
  45 {
  46 class CpuInfo;
  47 class HardwareTopology;
  48 } // namespace
  49
  50 /* Hardware information structure with CPU and GPU information.
  51  * It is initialized by gmx_detect_hardware().
  52  * NOTE: this structure may only contain structures that are globally valid
  53  *       (i.e. must be able to be shared among all threads) */
  54 struct gmx_hw_info_t
  55 {
  56     /* Data for our local physical node */
  57     struct gmx_gpu_info_t gpu_info;                /* Information about GPUs detected in the system */
  58
  59     int                   nthreads_hw_avail;       /* Number of hardware threads available; this number
  60                                                       is based on the number of CPUs reported as available
  61                                                       by the OS at the time of detection. */
  62
  63     const gmx::CpuInfo *         cpuInfo;          /* Information about CPU capabilities */
  64     const gmx::HardwareTopology *hardwareTopology; /* Information about hardware topology */
  65
  66     /* Data reduced through MPI over all physical nodes */
  67     int                 nphysicalnode;       /* Number of physical nodes */
  68     int                 ncore_tot;           /* Sum of #cores over all nodes, can be 0 */
  69     int                 ncore_min;           /* Min #cores over all nodes */
  70     int                 ncore_max;           /* Max #cores over all nodes */
  71     int                 nhwthread_tot;       /* Sum of #hwthreads over all nodes */
  72     int                 nhwthread_min;       /* Min #hwthreads over all nodes */
  73     int                 nhwthread_max;       /* Max #hwthreads over all nodes */
  74     int                 ngpu_compatible_tot; /* Sum of #GPUs over all nodes */
  75     int                 ngpu_compatible_min; /* Min #GPUs over all nodes */
  76     int                 ngpu_compatible_max; /* Max #GPUs over all nodes */
  77
  78     int                 simd_suggest_min;    /* Highest SIMD instruction set supported by all ranks */
  79     int                 simd_suggest_max;    /* Highest SIMD instruction set supported by at least one rank */
  80
  81     gmx_bool            bIdenticalGPUs;      /* TRUE if all ranks have the same type(s) and order of GPUs */
  82 };
  83
  84
  85 /* The options for the thread affinity setting, default: auto */
  86 enum {
  87     threadaffSEL, threadaffAUTO, threadaffON, threadaffOFF, threadaffNR
  88 };
  89
  90 /*! \internal \brief Threading and GPU options, can be set automatically or by the user
  91  *
  92  * \todo During mdrunner(), if the user has left any of these values
  93  * at their defaults (which tends to mean "choose automatically"),
  94  * then those values are over-written with the result of such
  95  * automation. This creates problems for the subsequent code in
  96  * knowing what was done, why, and reporting correctly to the
  97  * user. Find a way to improve this.
  98  */
  99 struct gmx_hw_opt_t
 100 {
 101     //! Total number of threads requested (thread-MPI + OpenMP).
 102     int           nthreads_tot = 0;
 103     //! Number of thread-MPI threads requested.
 104     int           nthreads_tmpi = 0;
 105     //! Number of OpenMP threads requested.
 106     int           nthreads_omp = 0;
 107     //! Number of OpenMP threads to use on PME_only ranks.
 108     int           nthreads_omp_pme = 0;
 109     //! Thread affinity switch, see enum above.
 110     int           thread_affinity = threadaffSEL;
 111     //! Logical core pinning stride.
 112     int           core_pinning_stride = 0;
 113     //! Logical core pinning offset.
 114     int           core_pinning_offset = 0;
 115     //! Empty, or a string provided by the user declaring (unique) GPU IDs available for mdrun to use.
 116     std::string   gpuIdsAvailable = "";
 117     //! Empty, or a string provided by the user mapping GPU tasks to devices.
 118     std::string   userGpuTaskAssignment = "";
 119 };
 120
 121 #endif