--- trunk/mdtools/interface_implementation/SimSetup.cpp 2003/01/30 15:20:21 253 +++ trunk/mdtools/interface_implementation/SimSetup.cpp 2003/02/03 21:15:59 261 @@ -238,7 +238,11 @@ void SimSetup::createSim( void ){ mpiSim = new mpiSimulation( simnfo ); + + globalIndex = mpiSim->divideLabor(); + + // set up the local variables @@ -392,7 +396,7 @@ void SimSetup::createSim( void ){ the_ff->setSimInfo( simnfo ); makeAtoms(); - + // if( tot_bonds ){ makeBonds(); } @@ -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++; }