src/gromacs/taskassignment/reportgpuusage.cpp

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 2017,2018,2019,2020, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   6  * and including many others, as listed in the AUTHORS file in the
   7  * top-level source directory and at http://www.gromacs.org.
   8  *
   9  * GROMACS is free software; you can redistribute it and/or
  10  * modify it under the terms of the GNU Lesser General Public License
  11  * as published by the Free Software Foundation; either version 2.1
  12  * of the License, or (at your option) any later version.
  13  *
  14  * GROMACS is distributed in the hope that it will be useful,
  15  * but WITHOUT ANY WARRANTY; without even the implied warranty of
  16  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  17  * Lesser General Public License for more details.
  18  *
  19  * You should have received a copy of the GNU Lesser General Public
  20  * License along with GROMACS; if not, see
  21  * http://www.gnu.org/licenses, or write to the Free Software Foundation,
  22  * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  23  *
  24  * If you want to redistribute modifications to GROMACS, please
  25  * consider that scientific software is very special. Version
  26  * control is crucial - bugs must be traceable. We will be happy to
  27  * consider code for inclusion in the official distribution, but
  28  * derived work must not be called official GROMACS. Details are found
  29  * in the README & COPYING files - if they are missing, get the
  30  * official version at http://www.gromacs.org.
  31  *
  32  * To help us fund GROMACS development, we humbly ask that you cite
  33  * the research papers on the package. Check out http://www.gromacs.org.
  34  */
  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/taskassignment/taskassignment.h"
  51 #include "gromacs/utility/arrayref.h"
  52 #include "gromacs/utility/cstringutil.h"
  53 #include "gromacs/utility/logger.h"
  54 #include "gromacs/utility/stringutil.h"
  55 #include "gromacs/utility/sysinfo.h"
  56
  57 namespace gmx
  58 {
  59
  60 namespace
  61 {
  62
  63 /*! \brief Count and return the number of unique GPUs (per node) selected.
  64  *
  65  * As sharing GPUs among multiple ranks is possible, the number of
  66  * GPUs used (per node) can be different from the number of GPU IDs
  67  * used.
  68  */
  69 size_t countUniqueGpuIdsUsed(ArrayRef<const GpuTaskAssignment> gpuTaskAssignmentOnRanksOfThisNode)
  70 {
  71     std::set<int> uniqueIds;
  72     for (const auto& assignmentsOnRank : gpuTaskAssignmentOnRanksOfThisNode)
  73     {
  74         for (const auto& assignmentOfTask : assignmentsOnRank)
  75         {
  76             uniqueIds.insert(assignmentOfTask.deviceId_);
  77         }
  78     }
  79     return uniqueIds.size();
  80 }
  81
  82 } // namespace
  83
  84 void reportGpuUsage(const MDLogger&                   mdlog,
  85                     ArrayRef<const GpuTaskAssignment> gpuTaskAssignmentOnRanksOfThisNode,
  86                     size_t                            numGpuTasksOnThisNode,
  87                     size_t                            numRanks,
  88                     bool                              printHostName,
  89                     bool                              useGpuForBonded,
  90                     PmeRunMode                        pmeRunMode,
  91                     bool                              useGpuForUpdate)
  92 {
  93     size_t numGpusInUse = countUniqueGpuIdsUsed(gpuTaskAssignmentOnRanksOfThisNode);
  94     if (numGpusInUse == 0)
  95     {
  96         return;
  97     }
  98
  99     std::string output;
 100     {
 101         std::string gpuIdsString;
 102         const char* currentSeparator = "";
 103         const char* separator        = ",";
 104         for (const auto& assignmentsOnRank : gpuTaskAssignmentOnRanksOfThisNode)
 105         {
 106             if (assignmentsOnRank.empty())
 107             {
 108                 gpuIdsString += currentSeparator;
 109                 gpuIdsString += "none";
 110                 currentSeparator = separator;
 111             }
 112             else
 113             {
 114                 for (const auto& assignmentOnRank : assignmentsOnRank)
 115                 {
 116                     const char* rankType = (assignmentOnRank.task_ == GpuTask::Nonbonded ? "PP" : "PME");
 117                     gpuIdsString += currentSeparator;
 118                     gpuIdsString += formatString("%s:%d", rankType, assignmentOnRank.deviceId_);
 119                     currentSeparator = separator;
 120                 }
 121             }
 122         }
 123         bool bPluralGpus = numGpusInUse > 1;
 124
 125         if (printHostName)
 126         {
 127             char host[STRLEN];
 128             gmx_gethostname(host, STRLEN);
 129             output += gmx::formatString("On host %s ", host);
 130         }
 131         output += gmx::formatString(
 132                 "%zu GPU%s selected for this run.\n"
 133                 "Mapping of GPU IDs to the %zu GPU task%s in the %zu rank%s on this node:\n  %s\n",
 134                 numGpusInUse, bPluralGpus ? "s" : "", numGpuTasksOnThisNode,
 135                 (numGpuTasksOnThisNode > 1) ? "s" : "", numRanks, (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(
 139                 "PP tasks will do (non-perturbed) short-ranged%s interactions on the GPU\n",
 140                 useGpuForBonded ? " and most bonded" : "");
 141         output += gmx::formatString("PP task will update and constrain coordinates on the %s",
 142                                     useGpuForUpdate ? "GPU" : "CPU");
 143         if (pmeRunMode == PmeRunMode::Mixed)
 144         {
 145             output += gmx::formatString("PME tasks will do only spread and gather on the GPU\n");
 146         }
 147         else if (pmeRunMode == PmeRunMode::GPU)
 148         {
 149             output += gmx::formatString("PME tasks will do all aspects on the GPU\n");
 150         }
 151     }
 152
 153     /* NOTE: this print is only for and on one physical node */
 154     GMX_LOG(mdlog.warning).appendText(output);
 155 }
 156
 157 } // namespace gmx