| 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 |
– |
|
| 592 |
|
info->setMolToProcMap(molToProcMap); |
| 593 |
|
sprintf(checkPointMsg, |
| 594 |
|
"Successfully divided the molecules among the processors.\n"); |
| 707 |
|
MPI_Allreduce(&globalGroupMembership[0], &tmpGroupMembership[0], nGlobalAtoms, |
| 708 |
|
MPI_INT, MPI_SUM, MPI_COMM_WORLD); |
| 709 |
|
info->setGlobalGroupMembership(tmpGroupMembership); |
| 715 |
– |
|
| 716 |
– |
cerr << "ggm:\n"; |
| 717 |
– |
for (int i = 0; i < tmpGroupMembership.size(); i++) |
| 718 |
– |
cerr << "i = " << i << "\t ggm(i) = " << tmpGroupMembership[i] << "\n"; |
| 719 |
– |
|
| 710 |
|
#else |
| 711 |
|
info->setGlobalGroupMembership(globalGroupMembership); |
| 712 |
|
#endif |
| 766 |
|
globalIO++; |
| 767 |
|
} |
| 768 |
|
} |
| 779 |
– |
cerr << "ioi2io:\n"; |
| 780 |
– |
for (int i = 0; i < IOIndexToIntegrableObject.size(); i++) { |
| 781 |
– |
if (IOIndexToIntegrableObject[i] != NULL) { |
| 782 |
– |
cerr << "i = " << i << "globalIOindex = " << IOIndexToIntegrableObject[i]->getGlobalIntegrableObjectIndex() << "\n"; |
| 783 |
– |
} |
| 784 |
– |
} |
| 769 |
|
|
| 770 |
|
info->setIOIndexToIntegrableObject(IOIndexToIntegrableObject); |
| 771 |
|
|
