145 |
|
treeParser.initializeASTFactory(factory); |
146 |
|
treeParser.setASTFactory(&factory); |
147 |
|
simParams = treeParser.walkTree(parser.getAST()); |
148 |
– |
|
148 |
|
} |
149 |
|
|
150 |
|
|
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", |
589 |
|
info->setMolToProcMap(molToProcMap); |
590 |
|
sprintf(checkPointMsg, |
591 |
|
"Successfully divided the molecules among the processors.\n"); |
592 |
< |
MPIcheckPoint(); |
592 |
> |
errorCheckPoint(); |
593 |
|
} |
594 |
|
|
595 |
|
#endif |