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#ifdef IS_MPI |
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#include <iostream> |
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#include <cstdlib> |
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#include <cstring> |
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#include <cmath> |
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#include <stdlib.h> |
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#include <string.h> |
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#include <math.h> |
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#include <mpi.h> |
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#include <mpi++.h> |
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#include "mpiSimulation.hpp" |
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#include "simError.h" |
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#include "fortranWrappers.hpp" |
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#include "randomSPRNG.hpp" |
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#define BASE_SEED 123456789 |
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mpiSimulation* mpiSim; |
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mpiSimulation::mpiSimulation(SimInfo* the_entryPlug) |
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entryPlug = the_entryPlug; |
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mpiPlug = new mpiSimData; |
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mpiPlug->numberProcessors = MPI::COMM_WORLD.Get_size(); |
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MPI_Comm_size(MPI_COMM_WORLD, &(mpiPlug->numberProcessors) ); |
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mpiPlug->myNode = worldRank; |
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MolToProcMap = new int[entryPlug->n_mol]; |
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} |
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int* mpiSimulation::divideLabor( void ){ |
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void mpiSimulation::divideLabor( ){ |
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int* globalIndex; |
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int nComponents; |
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MoleculeStamp** compStamps; |
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randomSPRNG *myRandom; |
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int old_atoms, add_atoms, new_atoms; |
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int nTarget; |
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int molIndex, atomIndex, compIndex, compStart; |
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int molIndex, atomIndex; |
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int done; |
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int nLocal, molLocal; |
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int i, j, loops, which_proc, nmol_local, natoms_local; |
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int nmol_global, natoms_global; |
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int local_index, index; |
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int smallDiff, bigDiff; |
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int baseSeed = BASE_SEED; |
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int local_index; |
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int baseSeed = entryPlug->getSeed(); |
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int testSum; |
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nComponents = entryPlug->nComponents; |
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compStamps = entryPlug->compStamps; |
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componentsNmol = entryPlug->componentsNmol; |
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// Spray out this nonsense to all other processors: |
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MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal, |
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MPI_INT, 0); |
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MPI_Bcast(MolToProcMap, mpiPlug->nMolGlobal, |
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MPI_INT, 0, MPI_COMM_WORLD); |
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MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, |
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MPI_INT, 0); |
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MPI_Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, |
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MPI_INT, 0, MPI_COMM_WORLD); |
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MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal, |
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MPI_INT, 0); |
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MPI_Bcast(MolComponentType, mpiPlug->nMolGlobal, |
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MPI_INT, 0, MPI_COMM_WORLD); |
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MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
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MPI_INT, 0); |
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MPI_Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
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MPI_INT, 0, MPI_COMM_WORLD); |
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} else { |
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// Listen to your marching orders from processor 0: |
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MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal, |
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MPI_INT, 0); |
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MPI_Bcast(MolToProcMap, mpiPlug->nMolGlobal, |
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MPI_INT, 0, MPI_COMM_WORLD); |
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MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, |
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MPI_INT, 0); |
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MPI_Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, |
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MPI_INT, 0, MPI_COMM_WORLD); |
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MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal, |
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MPI_INT, 0); |
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MPI_Bcast(MolComponentType, mpiPlug->nMolGlobal, |
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MPI_INT, 0, MPI_COMM_WORLD); |
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MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
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MPI_INT, 0); |
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MPI_Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
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MPI_INT, 0, MPI_COMM_WORLD); |
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} |
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} |
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} |
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MPI::COMM_WORLD.Allreduce(&nmol_local,&nmol_global,1,MPI_INT,MPI_SUM); |
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MPI::COMM_WORLD.Allreduce(&natoms_local,&natoms_global,1,MPI_INT,MPI_SUM); |
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MPI_Allreduce(&nmol_local,&nmol_global,1,MPI_INT,MPI_SUM, |
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MPI_COMM_WORLD); |
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MPI_Allreduce(&natoms_local,&natoms_global,1,MPI_INT, |
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MPI_SUM, MPI_COMM_WORLD); |
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if( nmol_global != entryPlug->n_mol ){ |
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sprintf( painCave.errMsg, |
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mpiPlug->myNMol = nmol_local; |
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mpiPlug->myNlocal = natoms_local; |
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globalIndex = new int[mpiPlug->myNlocal]; |
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globalAtomIndex.resize(mpiPlug->myNlocal); |
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local_index = 0; |
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for (i = 0; i < mpiPlug->nAtomsGlobal; i++) { |
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if (AtomToProcMap[i] == mpiPlug->myNode) { |
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globalIndex[local_index] = i; |
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globalAtomIndex[local_index] = i; |
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globalToLocalAtom[i] = local_index; |
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local_index++; |
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} |
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else |
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globalToLocalAtom[i] = -1; |
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} |
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globalMolIndex.resize(mpiPlug->myNMol); |
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local_index = 0; |
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for (i = 0; i < mpiPlug->nMolGlobal; i++) { |
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if (MolToProcMap[i] == mpiPlug->myNode) { |
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globalMolIndex[local_index] = i; |
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globalToLocalMol[i] = local_index; |
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local_index++; |
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} |
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else |
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globalToLocalMol[i] = -1; |
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} |
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return globalIndex; |
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} |
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