# | Line 145 | Line 145 | namespace oopse { | |
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145 | treeParser.initializeASTFactory(factory); | |
146 | treeParser.setASTFactory(&factory); | |
147 | simParams = treeParser.walkTree(parser.getAST()); | |
148 | – | |
148 | } | |
149 | ||
150 | ||
# | Line 330 | Line 329 | namespace oopse { | |
329 | Globals* simParams = parseFile(rawMetaDataStream, mdFileName, metaDataBlockStart+1); | |
330 | ||
331 | //create the force field | |
332 | < | ForceField * ff = ForceFieldFactory::getInstance() |
333 | < | ->createForceField(simParams->getForceField()); |
335 | < | |
332 | > | ForceField * ff = ForceFieldFactory::getInstance()->createForceField(simParams->getForceField()); |
333 | > | |
334 | if (ff == NULL) { | |
335 | sprintf(painCave.errMsg, | |
336 | "ForceField Factory can not create %s force field\n", | |
# | Line 591 | Line 589 | namespace oopse { | |
589 | info->setMolToProcMap(molToProcMap); | |
590 | sprintf(checkPointMsg, | |
591 | "Successfully divided the molecules among the processors.\n"); | |
592 | < | MPIcheckPoint(); |
592 | > | errorCheckPoint(); |
593 | } | |
594 | ||
595 | #endif | |
# | Line 777 | Line 775 | int startingIndex = 0; | |
775 | startingIndex += numIntegrableObjectsPerMol[i]; | |
776 | } | |
777 | ||
780 | – | std::cerr << "nGIO = " << info->getNGlobalIntegrableObjects() << "\n"; |
778 | std::vector<StuntDouble*> IOIndexToIntegrableObject(info->getNGlobalIntegrableObjects(), (StuntDouble*)NULL); | |
779 | for (mol = info->beginMolecule(mi); mol != NULL; mol = info->nextMolecule(mi)) { | |
780 | int myGlobalIndex = mol->getGlobalIndex(); | |
781 | int globalIO = startingIOIndexForMol[myGlobalIndex]; | |
785 | – | std::cerr << "myGlobalIndex = " << myGlobalIndex << " globalIO = " << globalIO << "\n"; |
782 | for (StuntDouble* integrableObject = mol->beginIntegrableObject(ioi); integrableObject != NULL; | |
783 | integrableObject = mol->nextIntegrableObject(ioi)) { | |
784 | integrableObject->setGlobalIntegrableObjectIndex(globalIO); |
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