Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2012-2020 The plumed team
       3             :    (see the PEOPLE file at the root of the distribution for a list of names)
       4             : 
       5             :    See http://www.plumed.org for more information.
       6             : 
       7             :    This file is part of plumed, version 2.
       8             : 
       9             :    plumed is free software: you can redistribute it and/or modify
      10             :    it under the terms of the GNU Lesser General Public License as published by
      11             :    the Free Software Foundation, either version 3 of the License, or
      12             :    (at your option) any later version.
      13             : 
      14             :    plumed 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
      17             :    GNU Lesser General Public License for more details.
      18             : 
      19             :    You should have received a copy of the GNU Lesser General Public License
      20             :    along with plumed.  If not, see <http://www.gnu.org/licenses/>.
      21             : +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
      22             : #include "wrapper/Plumed.h"
      23             : #include <cstring>
      24             : #include <memory>
      25             : 
      26             : #ifdef __PLUMED_HAS_MPI
      27             : #include <mpi.h>
      28             : #endif
      29             : 
      30             : using namespace std;
      31             : 
      32             : /**
      33             :   This main uses only the interface published in
      34             :   Plumed.h. The object file generated from this .cpp
      35             :   is the only part of the plumed library that should
      36             :   not be linked with external MD codes, so as
      37             :   to avoid linker error.
      38             : */
      39        1820 : int main(int argc,char**argv) {
      40             : #ifdef __PLUMED_HAS_MPI
      41             :   bool nompi=false;
      42        4714 :   for(unsigned iarg=1; iarg<argc; iarg++) {
      43        3239 :     if(!strcmp(argv[iarg],"--no-mpi")) nompi=true;
      44        3239 :     if(!strcmp(argv[iarg],"--mpi"))    nompi=false;
      45             : // stop at first non-option
      46        3239 :     if(argv[iarg] && argv[iarg][0]!='-') break;
      47             :   }
      48        1820 :   if(!nompi) MPI_Init(&argc,&argv);
      49             : #endif
      50        1820 :   int ret=0;
      51             : 
      52        1820 :   std::unique_ptr<PLMD::Plumed> p(new PLMD::Plumed);
      53        1820 :   p->cmd("CLTool setArgc",&argc);
      54        1820 :   p->cmd("CLTool setArgv",argv);
      55             : #ifdef __PLUMED_HAS_MPI
      56        1820 :   if(!nompi) {
      57             :     MPI_Comm comm;
      58         401 :     MPI_Comm_dup(MPI_COMM_WORLD,&comm);
      59         401 :     p->cmd("CLTool setMPIComm",&comm);
      60             :   }
      61             : #endif
      62        1820 :   p->cmd("CLTool run",&ret);
      63             :   p.reset(); // this is to delete p here
      64             : 
      65             : #ifdef __PLUMED_HAS_MPI
      66        1820 :   if(!nompi) MPI_Finalize();
      67             : #endif
      68        1820 :   return ret;
      69        5460 : }