--- trunk/mdtools/mpi_implementation/mpiSimulation.cpp 2002/09/30 19:36:20 122 +++ trunk/mdtools/mpi_implementation/mpiSimulation.cpp 2002/10/16 20:02:05 137 @@ -1,25 +1,14 @@ -#include +#include #include -mpiSimulation::mpiSimulation() +mpiSimulation::mpiSimulation(void) { - int mpi_error; - MPI::Init(); +// MPI::Init(); - numberProcessors = MPI::Comm::Get_size(); - myNode = MPI::Comm::Get_rank(); - MPI::Get_processor_name(processorName,&processorNameLen); + numberProcessors = MPI::COMM_WORLD.Get_size(); + myNode = MPI::COMM_WORLD.Get_rank(); + // MPI::Get_processor_name(processorName,processorNameLen); } -mpiSimulation::mpiInitSimulation(SimInfo* entry_plug) -{ - // need to get nmol here...... - - - - myMolStart = nint(float(node)/numberProcessors*entry_plug->n_mol); - myMolEnd = nint(float(node + 1)/numberProcessors*entry_plug->n_mol;); - nMolLocal = myMolEnd - myMolStart + 1 -}