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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 "mpiSimulation.hpp" |
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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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} |
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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 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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mpiPlug->nSRIGlobal = entryPlug->n_SRI; |
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mpiPlug->nMolGlobal = entryPlug->n_mol; |
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myRandom = new randomSPRNG( baseSeed ); |
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a = 3.0 * (double)mpiPlug->nMolGlobal / (double)mpiPlug->nAtomsGlobal; |
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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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globalToLocalAtom.resize(mpiPlug->nAtomsGlobal); |
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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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globalToLocalMol.resize(mpiPlug->nMolGlobal); |
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return globalIndex; |
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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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} |
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