src/gromacs/taskassignment/reportgpuusage.cpp

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
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   4  * Copyright (c) 2017,2018,2019, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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  35 /*! \internal \file
  36  * \brief Defines routine for reporting GPU usage.
  37  *
  38  * \author Mark Abraham <mark.j.abraham@gmail.com>
  39  * \ingroup module_taskassignment
  40  */
  41 #include "gmxpre.h"
  42
  43 #include "reportgpuusage.h"
  44
  45 #include <set>
  46 #include <string>
  47
  48 #include "gromacs/ewald/pme.h"
  49 #include "gromacs/gpu_utils/gpu_utils.h"
  50 #include "gromacs/utility/cstringutil.h"
  51 #include "gromacs/utility/logger.h"
  52 #include "gromacs/utility/stringutil.h"
  53 #include "gromacs/utility/sysinfo.h"
  54
  55 namespace gmx
  56 {
  57
  58 namespace
  59 {
  60
  61 /*! \brief Count and return the number of unique GPUs (per node) selected.
  62  *
  63  * As sharing GPUs among multiple ranks is possible, the number of
  64  * GPUs used (per node) can be different from the number of GPU IDs
  65  * used.
  66  */
  67 size_t countUniqueGpuIdsUsed(const GpuTaskAssignments &gpuTaskAssignmentOnRanksOfThisNode)
  68 {
  69     std::set<int> uniqueIds;
  70     for (const auto &assignmentsOnRank : gpuTaskAssignmentOnRanksOfThisNode)
  71     {
  72         for (const auto &assignmentOfTask : assignmentsOnRank)
  73         {
  74             uniqueIds.insert(assignmentOfTask.deviceId_);
  75         }
  76     }
  77     return uniqueIds.size();
  78 }
  79
  80 }   // namespace
  81
  82 void
  83 reportGpuUsage(const MDLogger                &mdlog,
  84                const GpuTaskAssignments      &gpuTaskAssignmentOnRanksOfThisNode,
  85                size_t                         numGpuTasksOnThisNode,
  86                size_t                         numRanks,
  87                bool                           bPrintHostName,
  88                bool                           useGpuForBonded,
  89                PmeRunMode                     pmeRunMode)
  90 {
  91     size_t numGpusInUse = countUniqueGpuIdsUsed(gpuTaskAssignmentOnRanksOfThisNode);
  92     if (numGpusInUse == 0)
  93     {
  94         return;
  95     }
  96
  97     std::string output;
  98     {
  99         std::string gpuIdsString;
 100         const char *currentSeparator = "";
 101         const char *separator        = ",";
 102         for (const auto &assignmentsOnRank : gpuTaskAssignmentOnRanksOfThisNode)
 103         {
 104             if (assignmentsOnRank.empty())
 105             {
 106                 gpuIdsString    += currentSeparator;
 107                 gpuIdsString    += "none";
 108                 currentSeparator = separator;
 109             }
 110             else
 111             {
 112                 for (const auto &assignmentOnRank : assignmentsOnRank)
 113                 {
 114                     const char *rankType = (assignmentOnRank.task_ == GpuTask::Nonbonded ? "PP" : "PME");
 115                     gpuIdsString    += currentSeparator;
 116                     gpuIdsString    += formatString("%s:%d", rankType, assignmentOnRank.deviceId_);
 117                     currentSeparator = separator;
 118                 }
 119             }
 120         }
 121         bool        bPluralGpus  = numGpusInUse > 1;
 122
 123         if (bPrintHostName)
 124         {
 125             char host[STRLEN];
 126             gmx_gethostname(host, STRLEN);
 127             output += gmx::formatString("On host %s ", host);
 128         }
 129         output += gmx::formatString("%zu GPU%s selected for this run.\n"
 130                                     "Mapping of GPU IDs to the %zu GPU task%s in the %zu rank%s on this node:\n  %s\n",
 131                                     numGpusInUse, bPluralGpus ? "s" : "",
 132                                     numGpuTasksOnThisNode,
 133                                     (numGpuTasksOnThisNode > 1) ? "s" : "",
 134                                     numRanks,
 135                                     (numRanks > 1) ? "s" : "",
 136                                     gpuIdsString.c_str());
 137         // Because there is a GPU in use, there must be a PP task on a GPU.
 138         output += gmx::formatString("PP tasks will do (non-perturbed) short-ranged%s interactions on the GPU\n",
 139                                     useGpuForBonded ? " and most bonded" : "");
 140         if (pmeRunMode == PmeRunMode::Mixed)
 141         {
 142             output += gmx::formatString("PME tasks will do only spread and gather on the GPU\n");
 143         }
 144         else if (pmeRunMode == PmeRunMode::GPU)
 145         {
 146             output += gmx::formatString("PME tasks will do all aspects on the GPU\n");
 147         }
 148     }
 149
 150     /* NOTE: this print is only for and on one physical node */
 151     GMX_LOG(mdlog.warning).appendText(output);
 152 }
 153
 154 }  // namespace gmx