523 |
|
beginRigidBodyIndex = 0; |
524 |
|
beginCutoffGroupIndex = 0; |
525 |
|
|
526 |
< |
for(int i = 0; i < nproc; i++) { |
526 |
> |
for(int i = 0; i < myNode; i++) { |
527 |
|
beginAtomIndex += NumAtomsInProc[i]; |
528 |
|
beginRigidBodyIndex += NumRigidBodiesInProc[i]; |
529 |
|
beginCutoffGroupIndex += NumCutoffGroupsInProc[i]; |
584 |
|
for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) { |
585 |
|
globalMolMembership[atom->getGlobalIndex()] = mol->getGlobalIndex(); |
586 |
|
} |
587 |
+ |
} |
588 |
|
|
589 |
|
#ifdef IS_MPI |
590 |
|
std::vector<int> tmpMolMembership(nGlobalAtoms, 0); |
597 |
|
info->setGlobalMolMembership(globalMolMembership); |
598 |
|
#endif |
599 |
|
|
599 |
– |
} |
600 |
|
} |
601 |
|
|
602 |
|
void SimCreator::loadCoordinates(SimInfo* info) { |