| 25 | 
  | 
 | 
| 26 | 
  | 
  MolToProcMap = new int[entryPlug->n_mol]; | 
| 27 | 
  | 
  MolComponentType = new int[entryPlug->n_mol]; | 
| 28 | 
– | 
 | 
| 28 | 
  | 
  AtomToProcMap = new int[entryPlug->n_atoms]; | 
| 29 | 
  | 
 | 
| 30 | 
  | 
  mpiSim = this; | 
| 34 | 
  | 
 | 
| 35 | 
  | 
mpiSimulation::~mpiSimulation(){ | 
| 36 | 
  | 
   | 
| 37 | 
+ | 
  delete[] MolToProcMap; | 
| 38 | 
+ | 
  delete[] MolComponentType; | 
| 39 | 
+ | 
  delete[] AtomToProcMap; | 
| 40 | 
+ | 
 | 
| 41 | 
  | 
  delete mpiPlug; | 
| 42 | 
  | 
  // perhaps we should let fortran know the party is over. | 
| 43 | 
  | 
   | 
| 208 | 
  | 
 | 
| 209 | 
  | 
    // Spray out this nonsense to all other processors: | 
| 210 | 
  | 
 | 
| 211 | 
< | 
    MPI::COMM_WORLD.Bcast(&MolToProcMap, mpiPlug->nMolGlobal,  | 
| 211 | 
> | 
    MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal,  | 
| 212 | 
  | 
                          MPI_INT, 0); | 
| 213 | 
  | 
 | 
| 214 | 
< | 
    MPI::COMM_WORLD.Bcast(&AtomToProcMap, mpiPlug->nAtomsGlobal,  | 
| 214 | 
> | 
    MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal,  | 
| 215 | 
  | 
                          MPI_INT, 0); | 
| 216 | 
  | 
 | 
| 217 | 
< | 
    MPI::COMM_WORLD.Bcast(&MolComponentType, mpiPlug->nMolGlobal,  | 
| 217 | 
> | 
    MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal,  | 
| 218 | 
  | 
                          MPI_INT, 0); | 
| 219 | 
  | 
 | 
| 220 | 
< | 
    MPI::COMM_WORLD.Bcast(&AtomsPerProc, mpiPlug->numberProcessors, | 
| 220 | 
> | 
    MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors, | 
| 221 | 
  | 
                          MPI_INT, 0);     | 
| 222 | 
  | 
  } else { | 
| 223 | 
  | 
 | 
| 224 | 
  | 
    // Listen to your marching orders from processor 0: | 
| 225 | 
  | 
     | 
| 226 | 
< | 
    MPI::COMM_WORLD.Bcast(&MolToProcMap, mpiPlug->nMolGlobal,  | 
| 226 | 
> | 
    MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal,  | 
| 227 | 
  | 
                          MPI_INT, 0); | 
| 228 | 
  | 
     | 
| 229 | 
< | 
    MPI::COMM_WORLD.Bcast(&AtomToProcMap, mpiPlug->nAtomsGlobal,  | 
| 229 | 
> | 
    MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal,  | 
| 230 | 
  | 
                          MPI_INT, 0); | 
| 231 | 
  | 
 | 
| 232 | 
< | 
    MPI::COMM_WORLD.Bcast(&MolComponentType, mpiPlug->nMolGlobal,  | 
| 232 | 
> | 
    MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal,  | 
| 233 | 
  | 
                          MPI_INT, 0); | 
| 234 | 
  | 
     | 
| 235 | 
< | 
    MPI::COMM_WORLD.Bcast(&AtomsPerProc, mpiPlug->numberProcessors, | 
| 235 | 
> | 
    MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors, | 
| 236 | 
  | 
                          MPI_INT, 0); | 
| 237 | 
  | 
  } | 
| 238 | 
  | 
 |