| 40 |
|
|
| 41 |
|
} |
| 42 |
|
|
| 43 |
< |
int* mpiSimulation::divideLabor( void ){ |
| 44 |
< |
|
| 45 |
< |
int* globalIndex; |
| 43 |
> |
void mpiSimulation::divideLabor( ){ |
| 44 |
|
|
| 45 |
|
int nComponents; |
| 46 |
|
MoleculeStamp** compStamps; |
| 74 |
|
mpiPlug->nSRIGlobal = entryPlug->n_SRI; |
| 75 |
|
mpiPlug->nMolGlobal = entryPlug->n_mol; |
| 76 |
|
|
| 79 |
– |
|
| 77 |
|
myRandom = new randomSPRNG( baseSeed ); |
| 78 |
|
|
| 79 |
|
a = 3.0 * (double)mpiPlug->nMolGlobal / (double)mpiPlug->nAtomsGlobal; |
| 124 |
|
// How many atoms does this processor have? |
| 125 |
|
|
| 126 |
|
old_atoms = AtomsPerProc[which_proc]; |
| 127 |
< |
add_atoms = compStamps[MolComponentType[i]]->getTotAtoms(); |
| 127 |
> |
add_atoms = compStamps[MolComponentType[i]]->getNAtoms(); |
| 128 |
|
new_atoms = old_atoms + add_atoms; |
| 129 |
|
|
| 130 |
|
// If we've been through this loop too many times, we need |
| 271 |
|
mpiPlug->myNMol = nmol_local; |
| 272 |
|
mpiPlug->myNlocal = natoms_local; |
| 273 |
|
|
| 274 |
< |
globalIndex = new int[mpiPlug->myNlocal]; |
| 274 |
> |
globalAtomIndex.resize(mpiPlug->myNlocal); |
| 275 |
> |
globalToLocalAtom.resize(mpiPlug->nAtomsGlobal); |
| 276 |
|
local_index = 0; |
| 277 |
|
for (i = 0; i < mpiPlug->nAtomsGlobal; i++) { |
| 278 |
|
if (AtomToProcMap[i] == mpiPlug->myNode) { |
| 279 |
< |
globalIndex[local_index] = i; |
| 279 |
> |
globalAtomIndex[local_index] = i; |
| 280 |
> |
|
| 281 |
> |
globalToLocalAtom[i] = local_index; |
| 282 |
> |
local_index++; |
| 283 |
> |
|
| 284 |
> |
} |
| 285 |
> |
else |
| 286 |
> |
globalToLocalAtom[i] = -1; |
| 287 |
> |
} |
| 288 |
> |
|
| 289 |
> |
globalMolIndex.resize(mpiPlug->myNMol); |
| 290 |
> |
globalToLocalMol.resize(mpiPlug->nMolGlobal); |
| 291 |
> |
|
| 292 |
> |
local_index = 0; |
| 293 |
> |
for (i = 0; i < mpiPlug->nMolGlobal; i++) { |
| 294 |
> |
if (MolToProcMap[i] == mpiPlug->myNode) { |
| 295 |
> |
globalMolIndex[local_index] = i; |
| 296 |
> |
globalToLocalMol[i] = local_index; |
| 297 |
|
local_index++; |
| 298 |
|
} |
| 299 |
+ |
else |
| 300 |
+ |
globalToLocalMol[i] = -1; |
| 301 |
|
} |
| 302 |
|
|
| 286 |
– |
return globalIndex; |
| 303 |
|
} |
| 304 |
|
|
| 305 |
|
|
