| 89 |
|
} |
| 90 |
|
strcpy( checkPointMsg, |
| 91 |
|
"File \"idealCrystal.in\" opened successfully for reading." ); |
| 92 |
< |
MPIcheckPoint(); |
| 92 |
> |
errorCheckPoint(); |
| 93 |
|
#endif |
| 94 |
|
|
| 95 |
|
return; |
| 107 |
|
} |
| 108 |
|
strcpy( checkPointMsg, |
| 109 |
|
"File idealCrystal.in (and .zang0 if present) closed successfully." ); |
| 110 |
< |
MPIcheckPoint(); |
| 110 |
> |
errorCheckPoint(); |
| 111 |
|
#endif |
| 112 |
|
|
| 113 |
|
return; |
| 543 |
|
} |
| 544 |
|
|
| 545 |
|
strcpy( checkPointMsg, "zAngle file opened successfully for reading." ); |
| 546 |
< |
MPIcheckPoint(); |
| 546 |
> |
errorCheckPoint(); |
| 547 |
|
#endif |
| 548 |
|
|
| 549 |
|
#ifndef IS_MPI |
| 671 |
|
for (integrableObject = mol->beginIntegrableObject(ii); |
| 672 |
|
integrableObject != NULL; |
| 673 |
|
integrableObject = mol->nextIntegrableObject(ii)){ |
| 674 |
< |
intObjIndex = integrableObject->getGlobalIndex(); |
| 674 |
> |
intObjIndex = integrableObject->getGlobalIntegrableObjectIndex(); |
| 675 |
|
integrableObject->setZangle(tempZangs[intObjIndex]); |
| 676 |
|
} |
| 677 |
|
|
| 719 |
|
for (integrableObject = mol->beginIntegrableObject(ii); |
| 720 |
|
integrableObject != NULL; |
| 721 |
|
integrableObject = mol->nextIntegrableObject(ii)){ |
| 722 |
< |
intObjIndexTransfer = integrableObject->getGlobalIndex(); |
| 722 |
> |
intObjIndexTransfer = integrableObject->getGlobalIntegrableObjectIndex(); |
| 723 |
|
// send the global index of the integrableObject |
| 724 |
|
MPI_Send(&intObjIndexTransfer, 1, MPI_INT, 0, |
| 725 |
|
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
| 741 |
|
StuntDouble* integrableObject; |
| 742 |
|
SimInfo::MoleculeIterator mi; |
| 743 |
|
Molecule::IntegrableObjectIterator ii; |
| 744 |
< |
|
| 744 |
> |
|
| 745 |
|
#ifndef IS_MPI |
| 746 |
|
// set all zAngles to 0.0 |
| 747 |
|
for (mol = info_->beginMolecule(mi); mol != NULL; |