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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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// How many atoms does this processor have? |
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old_atoms = AtomsPerProc[which_proc]; |
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add_atoms = compStamps[MolComponentType[i]]->getNAtoms(); |
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new_atoms = old_atoms + add_atoms; |
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// If the processor already had too many atoms, just skip this |
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// processor and try again. |
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if (old_atoms >= nTarget) continue; |
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add_atoms = compStamps[MolComponentType[i]]->getNAtoms(); |
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new_atoms = old_atoms + add_atoms; |
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// If we can add this molecule to this processor without sending |
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// it above nTarget, then go ahead and do it: |
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if (new_atoms <= nTarget) { |
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MolToProcMap[i] = which_proc; |
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AtomsPerProc[which_proc] += add_atoms; |
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for (j = 0 ; j < add_atoms; j++ ) { |
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atomIndex++; |
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AtomToProcMap[atomIndex] = which_proc; |
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} |
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done = 1; |
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continue; |
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} |
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// If we've been through this loop too many times, we need |
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// to just give up and assign the molecule to this processor |
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// and be done with it. |
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MolToProcMap[i] = which_proc; |
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AtomsPerProc[which_proc] += add_atoms; |
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for (j = 0 ; j < add_atoms; j++ ) { |
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atomIndex++; |
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AtomToProcMap[atomIndex] = which_proc; |
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AtomToProcMap[atomIndex] = which_proc; |
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atomIndex++; |
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} |
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done = 1; |
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continue; |
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} |
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if (old_atoms >= nTarget) continue; |
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// If we can add this molecule to this processor without sending |
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// it above nTarget, then go ahead and do it: |
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|
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if (new_atoms <= nTarget) { |
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MolToProcMap[i] = which_proc; |
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AtomsPerProc[which_proc] += add_atoms; |
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for (j = 0 ; j < add_atoms; j++ ) { |
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AtomToProcMap[atomIndex] = which_proc; |
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atomIndex++; |
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} |
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done = 1; |
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continue; |
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} |
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// The only situation left is where old_atoms < nTarget, but |
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// new_atoms > nTarget. We want to accept this with some |
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// probability that dies off the farther we are from nTarget |
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MolToProcMap[i] = which_proc; |
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AtomsPerProc[which_proc] += add_atoms; |
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for (j = 0 ; j < add_atoms; j++ ) { |
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atomIndex++; |
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AtomToProcMap[atomIndex] = which_proc; |
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} |
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AtomToProcMap[atomIndex] = which_proc; |
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atomIndex++; |
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} |
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done = 1; |
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continue; |
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} else { |
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MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
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MPI_INT, 0); |
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} |
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} |
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} |
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std::cerr << "proc = " << mpiPlug->myNode << " atoms = " << natoms_local << "\n"; |
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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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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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local_index++; |
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globalIndex[local_index] = i; |
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local_index++; |
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} |
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} |
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return globalIndex; |
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} |
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