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 |
|
|