| 589 |
|
MPI_Bcast(&molToProcMap[0], nGlobalMols, MPI_INT, 0, MPI_COMM_WORLD); |
| 590 |
|
} |
| 591 |
|
|
| 592 |
+ |
cerr << "molToProcMap:\n"; |
| 593 |
+ |
for (int i = 0; i < molToProcMap.size(); i++) { |
| 594 |
+ |
cerr << "m = " << i << " mtpr[m] = " << molToProcMap[i] <<"\n"; |
| 595 |
+ |
} |
| 596 |
+ |
|
| 597 |
|
info->setMolToProcMap(molToProcMap); |
| 598 |
|
sprintf(checkPointMsg, |
| 599 |
|
"Successfully divided the molecules among the processors.\n"); |
| 798 |
|
globalIO++; |
| 799 |
|
} |
| 800 |
|
} |
| 801 |
< |
|
| 801 |
> |
cerr << "ioi2io:\n"; |
| 802 |
> |
for (int i = 0; i < IOIndexToIntegrableObject.size(); i++) { |
| 803 |
> |
if (IOIndexToIntegrableObject[i] != NULL) { |
| 804 |
> |
cerr << "i = " << i << "globalIOindex = " << IOIndexToIntegrableObject[i]->getGlobalIntegrableObjectIndex() << "\n"; |
| 805 |
> |
} |
| 806 |
> |
} |
| 807 |
> |
|
| 808 |
|
info->setIOIndexToIntegrableObject(IOIndexToIntegrableObject); |
| 809 |
|
|
| 810 |
|
} |
