--- trunk/OOPSE/libmdtools/mpiSimulation.cpp 2003/08/20 22:23:34 708 +++ trunk/OOPSE/libmdtools/mpiSimulation.cpp 2004/01/19 16:09:52 958 @@ -1,8 +1,8 @@ #ifdef IS_MPI #include -#include -#include -#include +#include +#include +#include #include #include "mpiSimulation.hpp" @@ -10,8 +10,6 @@ #include "fortranWrappers.hpp" #include "randomSPRNG.hpp" -#define BASE_SEED 123456789 - mpiSimulation* mpiSim; mpiSimulation::mpiSimulation(SimInfo* the_entryPlug) @@ -59,17 +57,13 @@ int* mpiSimulation::divideLabor( void ){ int old_atoms, add_atoms, new_atoms; int nTarget; - int molIndex, atomIndex, compIndex, compStart; + int molIndex, atomIndex; int done; - int nLocal, molLocal; int i, j, loops, which_proc, nmol_local, natoms_local; int nmol_global, natoms_global; - int local_index, index; - int smallDiff, bigDiff; + int local_index; int baseSeed = entryPlug->getSeed(); - int testSum; - nComponents = entryPlug->nComponents; compStamps = entryPlug->compStamps; componentsNmol = entryPlug->componentsNmol; @@ -133,7 +127,7 @@ int* mpiSimulation::divideLabor( void ){ // How many atoms does this processor have? old_atoms = AtomsPerProc[which_proc]; - add_atoms = compStamps[MolComponentType[i]]->getNAtoms(); + add_atoms = compStamps[MolComponentType[i]]->getTotAtoms(); new_atoms = old_atoms + add_atoms; // If we've been through this loop too many times, we need