35 |
|
|
36 |
|
mpiSimulation::~mpiSimulation(){ |
37 |
|
|
38 |
+ |
delete[] MolToProcMap; |
39 |
+ |
delete[] MolComponentType; |
40 |
+ |
delete[] AtomToProcMap; |
41 |
+ |
|
42 |
|
delete mpiPlug; |
43 |
|
// perhaps we should let fortran know the party is over. |
44 |
|
|
209 |
|
|
210 |
|
// Spray out this nonsense to all other processors: |
211 |
|
|
212 |
< |
MPI::COMM_WORLD.Bcast(&MolToProcMap, mpiPlug->nMolGlobal, |
212 |
> |
MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal, |
213 |
|
MPI_INT, 0); |
214 |
|
|
215 |
< |
MPI::COMM_WORLD.Bcast(&AtomToProcMap, mpiPlug->nAtomsGlobal, |
215 |
> |
MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, |
216 |
|
MPI_INT, 0); |
217 |
|
|
218 |
< |
MPI::COMM_WORLD.Bcast(&MolComponentType, mpiPlug->nMolGlobal, |
218 |
> |
MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal, |
219 |
|
MPI_INT, 0); |
220 |
|
|
221 |
< |
MPI::COMM_WORLD.Bcast(&AtomsPerProc, mpiPlug->numberProcessors, |
221 |
> |
MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
222 |
|
MPI_INT, 0); |
223 |
|
} else { |
224 |
|
|
225 |
|
// Listen to your marching orders from processor 0: |
226 |
|
|
227 |
< |
MPI::COMM_WORLD.Bcast(&MolToProcMap, mpiPlug->nMolGlobal, |
227 |
> |
MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal, |
228 |
|
MPI_INT, 0); |
229 |
|
|
230 |
< |
MPI::COMM_WORLD.Bcast(&AtomToProcMap, mpiPlug->nAtomsGlobal, |
230 |
> |
MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, |
231 |
|
MPI_INT, 0); |
232 |
|
|
233 |
< |
MPI::COMM_WORLD.Bcast(&MolComponentType, mpiPlug->nMolGlobal, |
233 |
> |
MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal, |
234 |
|
MPI_INT, 0); |
235 |
|
|
236 |
< |
MPI::COMM_WORLD.Bcast(&AtomsPerProc, mpiPlug->numberProcessors, |
236 |
> |
MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
237 |
|
MPI_INT, 0); |
238 |
|
} |
239 |
|
|