--- trunk/OOPSE-3.0/src/io/DumpWriter.cpp 2004/09/24 16:27:58 1492 +++ trunk/OOPSE-3.0/src/io/DumpWriter.cpp 2004/11/23 22:48:31 1772 @@ -299,8 +299,8 @@ void DumpWriter::writeFrame( vector& outFil for(k = 0; k < outFile.size(); k++) *outFile[k] << writeLine; } - -} + + } #else // is_mpi @@ -333,27 +333,28 @@ void DumpWriter::writeFrame( vector& outFil for (i = 0; i < nProc; i++) potatoes[i] = 0; - for(k = 0; k < outFile.size(); k++){ - *outFile[k] << nTotObjects << "\n"; - - *outFile[k] << currentTime << ";\t" - << entry_plug->Hmat[0][0] << "\t" - << entry_plug->Hmat[1][0] << "\t" - << entry_plug->Hmat[2][0] << ";\t" - - << entry_plug->Hmat[0][1] << "\t" - << entry_plug->Hmat[1][1] << "\t" - << entry_plug->Hmat[2][1] << ";\t" - - << entry_plug->Hmat[0][2] << "\t" - << entry_plug->Hmat[1][2] << "\t" - << entry_plug->Hmat[2][2] << ";"; - - *outFile[k] << entry_plug->the_integrator->getAdditionalParameters() << endl; - } - + for(k = 0; k < outFile.size(); k++){ + *outFile[k] << nTotObjects << "\n"; + + *outFile[k] << currentTime << ";\t" + << entry_plug->Hmat[0][0] << "\t" + << entry_plug->Hmat[1][0] << "\t" + << entry_plug->Hmat[2][0] << ";\t" + + << entry_plug->Hmat[0][1] << "\t" + << entry_plug->Hmat[1][1] << "\t" + << entry_plug->Hmat[2][1] << ";\t" + + << entry_plug->Hmat[0][2] << "\t" + << entry_plug->Hmat[1][2] << "\t" + << entry_plug->Hmat[2][2] << ";"; + + *outFile[k] << entry_plug->the_integrator->getAdditionalParameters() + << endl; + } + currentIndex = 0; - + for (i = 0 ; i < mpiSim->getNMolGlobal(); i++ ) { // Get the Node number which has this atom; @@ -367,7 +368,8 @@ void DumpWriter::writeFrame( vector& outFil // so wrap this processor potato back to 0: potatoes[which_node] = 0; - MPI_Send(&potatoes[which_node], 1, MPI_INT, which_node, 0, MPI_COMM_WORLD); + MPI_Send(&potatoes[which_node], 1, MPI_INT, which_node, 0, + MPI_COMM_WORLD); } @@ -449,16 +451,16 @@ void DumpWriter::writeFrame( vector& outFil }// end for(int l =0) potatoes[which_node] = myPotato; - + } else { - + haveError = 0; local_index = indexArray[currentIndex].first; + + integrableObjects = (entry_plug->molecules[local_index]).getIntegrableObjects(); - integrableObjects = (entry_plug->molecules[local_index]).getIntegrableObjects(); - for(iter= integrableObjects.begin(); iter != integrableObjects.end(); ++iter){ sd = *iter; atomTypeString = sd->getType(); @@ -587,7 +589,7 @@ void DumpWriter::writeFrame( vector& outFil nCurObj = integrableObjects.size(); MPI_Send(&nCurObj, 1, MPI_INT, 0, - myPotato, MPI_COMM_WORLD); + myPotato, MPI_COMM_WORLD); myPotato++; for( iter = integrableObjects.begin(); iter != integrableObjects.end(); iter++){ @@ -670,12 +672,10 @@ void DumpWriter::writeFrame( vector& outFil } sprintf( checkPointMsg, - "Sucessfully took a dump.\n"); + "Successfully took a dump.\n"); MPIcheckPoint(); - } - - + } #endif // is_mpi }