2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2013,2014, 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.
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.
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.
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.
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.
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.
37 * Implements functions from cmdlineinit.h.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_commandline
42 #include "gromacs/commandline/cmdlineinit.h"
46 #include <boost/scoped_ptr.hpp>
48 #include "gromacs/legacyheaders/network.h"
49 #include "gromacs/legacyheaders/types/commrec.h"
51 #include "gromacs/commandline/cmdlinemodulemanager.h"
52 #include "gromacs/commandline/cmdlineprogramcontext.h"
53 #include "gromacs/utility/exceptions.h"
54 #include "gromacs/utility/gmxassert.h"
55 #include "gromacs/utility/init.h"
56 #include "gromacs/utility/programcontext.h"
57 #include "gromacs/utility/smalloc.h"
65 //! \addtogroup module_commandline
68 //! Global context instance initialized in initForCommandLine().
69 boost::scoped_ptr<CommandLineProgramContext> g_commandLineContext;
72 void broadcastArguments(const t_commrec *cr, int *argc, char ***argv)
74 gmx_bcast(sizeof(*argc), argc, cr);
80 for (int i = 0; i < *argc; i++)
85 len = std::strlen((*argv)[i])+1;
87 gmx_bcast(sizeof(len), &len, cr);
90 snew((*argv)[i], len);
92 gmx_bcast(len, (*argv)[i], cr);
101 CommandLineProgramContext &initForCommandLine(int *argc, char ***argv)
103 gmx::init(argc, argv);
104 GMX_RELEASE_ASSERT(!g_commandLineContext,
105 "initForCommandLine() calls cannot be nested");
107 // TODO: Rewrite this to not use t_commrec once there is clarity on
108 // the approach for MPI in C++ code.
109 // TODO: Consider whether the argument broadcast would better be done
110 // in CommandLineModuleManager.
112 std::memset(&cr, 0, sizeof(cr));
114 gmx_fill_commrec_from_mpi(&cr);
117 broadcastArguments(&cr, argc, argv);
122 g_commandLineContext.reset(new CommandLineProgramContext(*argc, *argv));
123 setProgramContext(g_commandLineContext.get());
125 catch (const std::exception &ex)
127 printFatalErrorMessage(stderr, ex);
128 std::exit(processExceptionAtExit(ex));
130 return *g_commandLineContext;
133 void finalizeForCommandLine()
136 setProgramContext(NULL);
137 g_commandLineContext.reset();
140 int runCommandLineModule(int argc, char *argv[],
141 CommandLineModuleInterface *module)
143 return gmx::CommandLineModuleManager::runAsMainSingleModule(argc, argv, module);
148 int gmx_run_cmain(int argc, char *argv[], int (*mainFunction)(int, char *[]))
150 return gmx::CommandLineModuleManager::runAsMainCMain(argc, argv, mainFunction);