--- trunk/OOPSE/libmdtools/DumpWriter.cpp 2003/03/28 19:30:59 434 +++ trunk/OOPSE/libmdtools/DumpWriter.cpp 2003/03/28 21:45:03 436 @@ -6,7 +6,8 @@ #include #include #include "mpiSimulation.hpp" -#define TAKE_THIS_TAG 1 +#define TAKE_THIS_TAG_CHAR 1 +#define TAKE_THIS_TAG_INT 2 #endif //is_mpi #include "ReadWrite.hpp" @@ -138,45 +139,58 @@ void DumpWriter::writeDump( double currentTime ){ which_node = AtomToProcMap[i]; - if (which_node == mpiSim->getMyNode()) { - sprintf( tempBuffer, - "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", - atoms[i]->getType(), - atoms[i]->getX(), - atoms[i]->getY(), - atoms[i]->getZ(), - atoms[i]->get_vx(), - atoms[i]->get_vy(), - atoms[i]->get_vz()); - strcpy( writeLine, tempBuffer ); + if (which_node == 0 ) { - if( atoms[i]->isDirectional() ){ - - dAtom = (DirectionalAtom *)atoms[i]; - dAtom->getQ( q ); - - sprintf( tempBuffer, - "%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", - q[0], - q[1], - q[2], - q[3], - dAtom->getJx(), - dAtom->getJy(), - dAtom->getJz()); - strcat( writeLine, tempBuffer ); + which_atom = i; + local_index=-1; + for (j=0; (jgetMyNlocal()) && (local_index < 0); j++) { + if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; } - else - strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); - - } else { - - std::cerr << "node 0: sending node " << which_node << " request for atom " << i << "\n"; - MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG); - std::cerr << "node 0: sent!\n"; + if (local_index != -1) { + //format the line + sprintf( tempBuffer, + "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", + atoms[local_index]->getType(), + atoms[local_index]->getX(), + atoms[local_index]->getY(), + atoms[local_index]->getZ(), + atoms[local_index]->get_vx(), + atoms[local_index]->get_vy(), + atoms[local_index]->get_vz()); // check here. + strcpy( writeLine, tempBuffer ); + + if( atoms[local_index]->isDirectional() ){ + + dAtom = (DirectionalAtom *)atoms[local_index]; + dAtom->getQ( q ); + + sprintf( tempBuffer, + "%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", + q[0], + q[1], + q[2], + q[3], + dAtom->getJx(), + dAtom->getJy(), + dAtom->getJz()); + strcat( writeLine, tempBuffer ); + + } + else + strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); + } + else { + strcpy( writeLine, "ATOM NOT FOUND ON THIS PROCESSOR"); + } + } + else { + + //std::cerr << "node 0: sending node " << which_node << " request for atom " << i << "\n"; + MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT); + //std::cerr << "node 0: sent!\n"; MPI::COMM_WORLD.Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node, - TAKE_THIS_TAG, istatus); - std::cerr << "node 0: got this line: " << writeLine; + TAKE_THIS_TAG_CHAR, istatus); + //std::cerr << "node 0: got this line: " << writeLine; } outFile << writeLine; @@ -186,23 +200,23 @@ void DumpWriter::writeDump( double currentTime ){ // kill everyone off: game_over = -1; for (j = 0; j < mpiSim->getNumberProcessors(); j++) { - MPI::COMM_WORLD.Send(&game_over, 1, MPI_INT, j, TAKE_THIS_TAG); + MPI::COMM_WORLD.Send(&game_over, 1, MPI_INT, j, TAKE_THIS_TAG_INT); } } else { done = 0; while (!done) { - std::cerr << "node: " << mpiSim->getMyNode() << " Waiting for receive \n"; + //std::cerr << "node: " << mpiSim->getMyNode() << " Waiting for receive \n"; MPI::COMM_WORLD.Recv(&which_atom, 1, MPI_INT, 0, - TAKE_THIS_TAG, istatus); - std::cerr << "node: " << mpiSim->getMyNode() << " got request for atom " << which_atom << "\n"; + TAKE_THIS_TAG_INT, istatus); + //std::cerr << "node: " << mpiSim->getMyNode() << " got request for atom " << which_atom << "\n"; if (which_atom == -1) { done=1; continue; } else { local_index=-1; - for (j=0; j < mpiSim->getMyNlocal(); j++) { + for (j=0; (jgetMyNlocal()) && (local_index < 0); j++) { if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; } if (local_index != -1) { @@ -236,13 +250,13 @@ void DumpWriter::writeDump( double currentTime ){ } else strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); - std::cerr << "node: " << mpiSim->getMyNode() << " sending this line" << writeLine; + // std::cerr << "node: " << mpiSim->getMyNode() << " sending this line" << writeLine; MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, - TAKE_THIS_TAG); + TAKE_THIS_TAG_CHAR); } else { strcpy( writeLine, "ATOM NOT FOUND ON THIS PROCESSOR"); MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, - TAKE_THIS_TAG); + TAKE_THIS_TAG_CHAR); } } } @@ -394,9 +408,9 @@ void DumpWriter::writeFinal(){ } else { - MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG); + MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT); MPI::COMM_WORLD.Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node, - TAKE_THIS_TAG, istatus); + TAKE_THIS_TAG_CHAR, istatus); } finalOut << writeLine; @@ -405,7 +419,7 @@ void DumpWriter::writeFinal(){ // kill everyone off: game_over = -1; for (j = 0; j < mpiSim->getNumberProcessors(); j++) { - MPI::COMM_WORLD.Send(&game_over, 1, MPI_INT, j, TAKE_THIS_TAG); + MPI::COMM_WORLD.Send(&game_over, 1, MPI_INT, j, TAKE_THIS_TAG_INT); } } else { @@ -413,7 +427,7 @@ void DumpWriter::writeFinal(){ done = 0; while (!done) { MPI::COMM_WORLD.Recv(&which_atom, 1, MPI_INT, 0, - TAKE_THIS_TAG, istatus); + TAKE_THIS_TAG_INT, istatus); if (which_atom == -1) { done=1; @@ -458,11 +472,11 @@ void DumpWriter::writeFinal(){ strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, - TAKE_THIS_TAG); + TAKE_THIS_TAG_CHAR); } else { strcpy( writeLine, "ATOM NOT FOUND ON THIS PROCESSOR"); MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, - TAKE_THIS_TAG); + TAKE_THIS_TAG_CHAR); } } }