--- trunk/mdtools/interface_implementation/SimSetup.cpp 2003/01/30 15:20:21 253 +++ trunk/mdtools/interface_implementation/SimSetup.cpp 2003/01/30 20:03:37 254 @@ -238,8 +238,12 @@ void SimSetup::createSim( void ){ mpiSim = new mpiSimulation( simnfo ); + fprintf( stderr, "about to call divideLabour.\n" ); + globalIndex = mpiSim->divideLabor(); + fprintf(stderr, "we're back from divideLabour\n" ); + // set up the local variables int localMol, allMol; @@ -649,7 +653,9 @@ void SimSetup::makeAtoms( void ){ for( i=0; igetMyNlocal(); i++ ) the_atoms[i]->setGlobalIndex( globalIndex[i] ); delete[] globalIndex; -#endif IS_MPI + + mpiSim->mpiRefresh(); +#endif //IS_MPI the_ff->initializeAtoms(); } @@ -690,7 +696,7 @@ void SimSetup::makeBonds( void ){ #ifdef IS_MPI } -#endif is_mpi +#endif //is_mpi molIndex++; }