Line data Source code
1 : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 2 : Copyright (c) 2012-2023 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 : 25 : #ifdef __PLUMED_HAS_MPI 26 : #include <mpi.h> 27 : #endif 28 : 29 : /** 30 : This main uses only the interface published in 31 : Plumed.h. The object file generated from this .cpp 32 : is the only part of the plumed library that should 33 : not be linked with external MD codes, so as 34 : to avoid linker error. 35 : */ 36 3441 : int main(int argc,char**argv) { 37 : #ifdef __PLUMED_HAS_MPI 38 : bool nompi=false; 39 7165 : for(unsigned iarg=1; iarg<argc; iarg++) { 40 6546 : if(!std::strcmp(argv[iarg],"--no-mpi")) nompi=true; 41 6546 : if(!std::strcmp(argv[iarg],"--mpi")) nompi=false; 42 : // stop at first non-option 43 6546 : if(argv[iarg] && argv[iarg][0]!='-') break; 44 : } 45 3441 : if(!nompi) MPI_Init(&argc,&argv); 46 : #endif 47 3441 : int ret=0; 48 : 49 : try { 50 : PLMD::Plumed p; 51 : p.cmd("CLTool setArgc",&argc); 52 3441 : p.cmd("CLTool setArgv",argv); 53 : #ifdef __PLUMED_HAS_MPI 54 3441 : if(!nompi) { 55 : MPI_Comm comm; 56 336 : MPI_Comm_dup(MPI_COMM_WORLD,&comm); 57 : p.cmd("CLTool setMPIComm",&comm); 58 : } 59 : #endif 60 : p.cmd("CLTool run",&ret); 61 : // end block deletes p also in case an exception occurs 62 0 : } catch(...) { 63 : // exception is rethrown and results in a call to terminate 64 0 : throw; 65 0 : } 66 : 67 : #ifdef __PLUMED_HAS_MPI 68 3441 : if(!nompi) MPI_Finalize(); 69 : #endif 70 3441 : return ret; 71 : }