src/gromacs/commandline/cmdlineinit.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Implements functions from cmdlineinit.h.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \ingroup module_commandline
  41  */
  42 #include "gmxpre.h"
  43
  44 #include "cmdlineinit.h"
  45
  46 #include <cstring>
  47
  48 #include <memory>
  49 #include <utility>
  50
  51 #include "gromacs/commandline/cmdlinemodulemanager.h"
  52 #include "gromacs/commandline/cmdlineoptionsmodule.h"
  53 #include "gromacs/commandline/cmdlineprogramcontext.h"
  54 #include "gromacs/utility/basenetwork.h"
  55 #include "gromacs/utility/datafilefinder.h"
  56 #include "gromacs/utility/exceptions.h"
  57 #include "gromacs/utility/futil.h"
  58 #include "gromacs/utility/gmxassert.h"
  59 #include "gromacs/utility/init.h"
  60 #include "gromacs/utility/programcontext.h"
  61 #include "gromacs/utility/smalloc.h"
  62
  63 namespace gmx
  64 {
  65
  66 namespace
  67 {
  68
  69 //! \addtogroup module_commandline
  70 //! \{
  71
  72 // These never release ownership.
  73 //! Global context instance initialized in initForCommandLine().
  74 std::unique_ptr<CommandLineProgramContext> g_commandLineContext;
  75 //! Global library data file finder that respects GMXLIB.
  76 std::unique_ptr<DataFileFinder>            g_libFileFinder;
  77
  78 /*! \brief
  79  * Broadcasts command-line arguments to all ranks.
  80  *
  81  * MPI does not ensure that command-line arguments would be passed on any
  82  * other rank than zero, but our code wants to parse them on each rank
  83  * separately.
  84  */
  85 void broadcastArguments(int *argc, char ***argv)
  86 {
  87     if (gmx_node_num() <= 1)
  88     {
  89         return;
  90     }
  91     gmx_broadcast_world(sizeof(*argc), argc);
  92
  93     const bool isMaster = (gmx_node_rank() == 0);
  94     if (!isMaster)
  95     {
  96         snew(*argv, *argc+1);
  97     }
  98     for (int i = 0; i < *argc; i++)
  99     {
 100         int len;
 101         if (isMaster)
 102         {
 103             len = std::strlen((*argv)[i])+1;
 104         }
 105         gmx_broadcast_world(sizeof(len), &len);
 106         if (!isMaster)
 107         {
 108             snew((*argv)[i], len);
 109         }
 110         gmx_broadcast_world(len, (*argv)[i]);
 111     }
 112 }
 113
 114 //! \}
 115
 116 }   // namespace
 117
 118 CommandLineProgramContext &initForCommandLine(int *argc, char ***argv)
 119 {
 120     gmx::init(argc, argv);
 121     GMX_RELEASE_ASSERT(!g_commandLineContext,
 122                        "initForCommandLine() calls cannot be nested");
 123     // TODO: Consider whether the argument broadcast would better be done
 124     // in CommandLineModuleManager.
 125     broadcastArguments(argc, argv);
 126     try
 127     {
 128         g_commandLineContext = std::make_unique<CommandLineProgramContext>(*argc, *argv);
 129         setProgramContext(g_commandLineContext.get());
 130         g_libFileFinder = std::make_unique<DataFileFinder>();
 131         g_libFileFinder->setSearchPathFromEnv("GMXLIB");
 132         setLibraryFileFinder(g_libFileFinder.get());
 133     }
 134     catch (const std::exception &ex)
 135     {
 136         printFatalErrorMessage(stderr, ex);
 137         std::exit(processExceptionAtExit(ex));
 138     }
 139     return *g_commandLineContext;
 140 }
 141
 142 void finalizeForCommandLine()
 143 {
 144     gmx::finalize();
 145     setLibraryFileFinder(nullptr);
 146     g_libFileFinder.reset();
 147     setProgramContext(nullptr);
 148     g_commandLineContext.reset();
 149 }
 150
 151 int processExceptionAtExitForCommandLine(const std::exception &ex)
 152 {
 153     int rc = processExceptionAtExit(ex); // Currently this aborts for real MPI
 154     finalizeForCommandLine();            // thus this MPI_Finalize doesn't matter.
 155     return rc;
 156 }
 157
 158 int runCommandLineModule(int argc, char *argv[],
 159                          ICommandLineModule *module)
 160 {
 161     return CommandLineModuleManager::runAsMainSingleModule(argc, argv, module);
 162 }
 163
 164 int runCommandLineModule(
 165         int argc, char *argv[], const char *name, const char *description,
 166         std::function<std::unique_ptr<ICommandLineOptionsModule>()> factory)
 167 {
 168     return ICommandLineOptionsModule::runAsMain(
 169             argc, argv, name, description, std::move(factory));
 170 }
 171
 172 } // namespace gmx
 173
 174 int gmx_run_cmain(int argc, char *argv[], int (*mainFunction)(int, char *[]))
 175 {
 176     return gmx::CommandLineModuleManager::runAsMainCMain(argc, argv, mainFunction);
 177 }