main.cpp

/****************************************************************************
 * Copyright (c) 2018-2021 by the Cabana authors                            *
 * All rights reserved.                                                     *
 *                                                                          *
 * This file is part of the Cabana library. Cabana is distributed under a   *
 * BSD 3-clause license. For the licensing terms see the LICENSE file in    *
 * the top-level directory.                                                 *
 *                                                                          *
 * SPDX-License-Identifier: BSD-3-Clause                                    *
 ****************************************************************************/

//************************************************************************
//  ExaMiniMD v. 1.0
//  Copyright (2018) National Technology & Engineering Solutions of Sandia,
//  LLC (NTESS).
//
//  Under the terms of Contract DE-NA-0003525 with NTESS, the U.S. Government
//  retains certain rights in this software.
//
//  ExaMiniMD is licensed under 3-clause BSD terms of use: Redistribution and
//  use in source and binary forms, with or without modification, are
//  permitted provided that the following conditions are met:
//
//    1. Redistributions of source code must retain the above copyright notice,
//       this list of conditions and the following disclaimer.
//
//    2. Redistributions in binary form must reproduce the above copyright
//       notice, this list of conditions and the following disclaimer in the
//       documentation and/or other materials provided with the distribution.
//
//    3. Neither the name of the Corporation nor the names of the contributors
//       may be used to endorse or promote products derived from this software
//       without specific prior written permission.
//
//  THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY EXPRESS OR IMPLIED
//  WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF
//  MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED.
//  IN NO EVENT SHALL NTESS OR THE CONTRIBUTORS BE LIABLE FOR ANY DIRECT,
//  INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
//  (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
//  SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION)
//  HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT,
//  STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING
//  IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
//  POSSIBILITY OF SUCH DAMAGE.
//
//************************************************************************

#include <cabanamd.h>
#include <mdfactory.h>
#include <types.h>

#include <Kokkos_Core.hpp>

#include "mpi.h"

// CabanaMD can be used as a library
// This main file is simply a driver
int main( int argc, char *argv[] )
{
    MPI_Init( &argc, &argv );

    {
        Kokkos::ScopeGuard scope_guard( argc, argv );

        InputCL commandline;
        commandline.read_args( argc, argv );

        CabanaMD *cabanamd = MDfactory::create( commandline );

        cabanamd->init( commandline );
        cabanamd->run();

        //   cabanamd.check_correctness();
    }

    MPI_Finalize();
}