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/** |
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* @file Parallel.cpp |
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* @author Charles Vardeman <cvardema.at.nd.edu> |
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* @date 08/18/2010 |
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* @time 11:56am |
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* @version 1.0 |
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* |
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* @section LICENSE |
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* Copyright (C) 2010 The University of Notre Dame. All Rights Reserved. |
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* |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 2. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* |
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* This software is provided "AS IS," without a warranty of any |
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* kind. All express or implied conditions, representations and |
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* warranties, including any implied warranty of merchantability, |
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* fitness for a particular purpose or non-infringement, are hereby |
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* excluded. The University of Notre Dame and its licensors shall not |
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* be liable for any damages suffered by licensee as a result of |
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* using, modifying or distributing the software or its |
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* derivatives. In no event will the University of Notre Dame or its |
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* licensors be liable for any lost revenue, profit or data, or for |
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* direct, indirect, special, consequential, incidental or punitive |
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* damages, however caused and regardless of the theory of liability, |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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* |
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* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
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* research, please cite the appropriate papers when you publish your |
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* work. Good starting points are: |
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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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|
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|
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#include <stdlib.h> |
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#include "config.h" |
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|
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#ifdef IS_MPI |
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#include <mpi.h> |
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#endif |
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|
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#include <iostream> |
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#include <vector> |
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#include <algorithm> |
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|
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#include "parallel/Parallel.hpp" |
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|
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|
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using namespace std; |
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using namespace OpenMD; |
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|
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//#define DEBUG_PARALLEL |
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|
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|
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#ifdef SINGLE_PRECISION |
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#define MY_MPI_REAL MPI_FLOAT |
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#else |
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#define MY_MPI_REAL MPI_DOUBLE |
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#endif |
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|
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|
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|
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|
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//____ mpiAbort |
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static void mpiAbort(); |
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|
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void mpiAbort() { |
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if (Parallel::ok()) { |
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#ifdef IS_MPI |
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MPI::Comm_world.Abort(1); |
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#endif |
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} |
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exit(EXIT_FAILURE); |
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} |
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|
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//____ mpiExit |
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static void mpiExit(); |
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|
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void mpiExit() { |
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if (Parallel::ok()) |
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Parallel::finalize(); |
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exit(EXIT_SUCCESS); |
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} |
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|
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|
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//____ MPITypeTraits |
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template<typename T> |
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struct MPITypeTraits; |
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|
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#ifdef IS_MPI |
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template<> |
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struct MPITypeTraits<RealType> { |
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static const MPI::Datatype datatype; |
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}; |
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const MPI_Datatype MPITypeTraits<RealType>::datatype = MY_MPI_REAL; |
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|
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template<> |
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struct MPITypeTraits<int> { |
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static const MPI::Datatype datatype; |
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}; |
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const MPI::Datatype MPITypeTraits<int>::datatype = MPI_INT; |
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|
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|
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//____ allReduceScalar |
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template<typename T> |
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void allReduceScalar(T &begin) { |
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T tmp = begin; |
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/* |
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MPI_Allreduce(&tmp, &begin, 1, MPITypeTraits<T>::datatype, MPI_SUM, |
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(exludeMaster ? slaveComm : MPI_COMM_WORLD)); |
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*/ |
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MPI::Comm_world.Allreduce(&tmp,&begin,1, MPITypeTraits<T>::datatype, MPI::SUM); |
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} |
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|
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//____ allReduce |
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template<typename T> |
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void allReduce(T *begin, T *end) { |
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vector<T> tmp(end - begin); |
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copy(begin, end, tmp.begin()); |
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/* MPI_Allreduce(&(tmp[0]), begin, (end - begin), MPITypeTraits<T>::datatype, |
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MPI_SUM, |
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(exludeMaster ? slaveComm : MPI_COMM_WORLD)); |
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*/ |
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MPI::Comm_world.Allreduce(&tmp[0],&begin,1, MPITypeTraits<T>::datatype, MPI::SUM); |
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} |
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|
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template<bool exludeMaster, bool dobarrier> |
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void allReduce(Vector3DBlock *coords) { |
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allReduce<exludeMaster, dobarrier>(&(coords->begin()->x), |
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&(coords->end()->x)); |
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} |
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|
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template<bool exludeMaster, bool dobarrier> |
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void allReduce(ScalarStructure *energies) { |
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allReduce<exludeMaster, dobarrier>( |
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&((*energies)[ScalarStructure::FIRST]), |
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&((*energies)[ScalarStructure::LASTREDUCE])); |
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} |
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|
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//____ broadcastScalar |
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template<bool exludeMaster, bool dobarrier, typename T> |
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void broadcastScalar(T &begin) { |
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if (dobarrier) |
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doBarrier<exludeMaster>(); |
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MPI_Bcast(&begin, 1, MPITypeTraits<T>::datatype, master, |
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(exludeMaster ? slaveComm : MPI_COMM_WORLD)); |
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} |
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|
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//____ broadcast |
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|
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template<bool exludeMaster, bool dobarrier, typename T> |
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void broadcast(T *begin, T *end) { |
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if (dobarrier) |
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doBarrier<exludeMaster>(); |
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MPI_Bcast(begin, (end - begin), MPITypeTraits<T>::datatype, |
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(exludeMaster ? 0 : master), |
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(exludeMaster ? slaveComm : MPI_COMM_WORLD)); |
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} |
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|
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template<bool exludeMaster, bool dobarrier> |
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void broadcast(Vector3DBlock *coords) { |
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broadcast<exludeMaster, dobarrier>(&(coords->begin()->x), |
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&(coords->end()->x)); |
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} |
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|
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template<bool exludeMaster, bool dobarrier> |
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void broadcast(ScalarStructure *energies) { |
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broadcast<exludeMaster, dobarrier>( |
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&((*energies)[ScalarStructure::FIRST]), |
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&((*energies)[ScalarStructure::LASTREDUCE])); |
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} |
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|
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#endif |
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|
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//____ Parallel |
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|
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#ifdef IS_MPI |
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const bool Parallel::isMPI = true; |
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#else |
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const bool Parallel::isMPI = false; |
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#endif |
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|
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bool Parallel::myInitialized = false; |
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bool Parallel::myFinalized = false; |
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int Parallel::myId = 0; |
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int Parallel::myMasterId = master; |
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int Parallel::myNum = 1; |
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int Parallel::myAvailableId = 0; |
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int Parallel::myAvailableNum = 1; |
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bool Parallel::myIsParallel = Parallel::isMPI; |
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bool Parallel::myIAmMaster = true; |
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bool Parallel::myIAmSlave = true; |
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ParallelType Parallel::myMode = ParallelType::STATIC; |
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Parallel::WorkState Parallel::myWorkState = Parallel::SEQUENTIAL; |
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|
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int Parallel::myPipeSize = 1; |
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bool Parallel::myUseBarrier = false; |
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int Parallel::myMaxPackages = -1; |
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|
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int *Parallel::myBuffer = NULL; |
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int Parallel::myNext = 0; |
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int Parallel::myNextRange[2] = { |
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0, 0 |
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}; |
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vector<int> Parallel::myDone; |
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vector<int> Parallel::myBlockList; |
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|
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int Parallel::myRecv; |
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int Parallel::myI; |
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int Parallel::myP; |
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|
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Parallel * Parallel::obj = NULL; |
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|
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int Parallel::myOldId = 0; |
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int Parallel::myOldNum = 1; |
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ParallelType Parallel::myOldMode = ParallelType::STATIC; |
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bool Parallel::myIsolated = false; |
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|
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//____ Parallel |
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|
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Parallel::~Parallel() { |
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} |
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|
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Parallel::Parallel() { |
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myInitialized = false; |
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myFinalized = false; |
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myId = 0; |
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myMasterId = master; |
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myNum = 1; |
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myAvailableId = 0; |
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myAvailableNum = 1; |
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myIsParallel = Parallel::isMPI; |
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myIAmMaster = true; |
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myIAmSlave = true; |
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myMode = ParallelType::DYNAMIC; |
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|
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myPipeSize = 1; |
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myUseBarrier = false; |
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myMaxPackages = -1; |
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|
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myBuffer = NULL; |
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myNext = 0; |
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myNextRange[0] = 0; |
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myNextRange[1] = 0; |
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myDone.clear(); |
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myBlockList.clear(); |
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|
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myOldId = 0; |
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myOldNum = 1; |
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myOldMode = ParallelType::STATIC; |
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myIsolated = false; |
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} |
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|
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Parallel &Parallel::instance() { |
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// We have to do it ourself ... M$ problem ... |
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if (obj == NULL) { |
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obj = new Parallel(); |
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atexit(kill); |
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} |
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return *obj; |
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} |
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|
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void Parallel::kill() { |
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Parallel *p = obj; |
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obj = NULL; |
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p->~Parallel(); |
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} |
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|
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void Parallel::init(int &argc, char ** &argv) { |
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instance(); |
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if (!myInitialized && !myFinalized) { |
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#ifdef IS_MPI |
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MPI_Init(&argc, &argv); |
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MPI_Comm_size(MPI_COMM_WORLD, &myNum); |
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MPI_Comm_rank(MPI_COMM_WORLD, &myId); |
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MPI_Barrier(MPI_COMM_WORLD); |
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setOpenMDStartSerial(mpiStartSerial); |
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setOpenMDEndSerial(mpiEndSerial); |
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#endif |
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setOpenMDAbort(mpiAbort); |
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setOpenMDExit(mpiExit); |
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myInitialized = true; |
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myIsParallel = (myNum > 1); |
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myIAmMaster = (myId == myMasterId); |
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report.setIAmMaster(iAmMaster()); |
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setMode(isParallel() ? ParallelType::DYNAMIC : ParallelType::STATIC); |
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setPipeSize(myPipeSize); |
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TimerStatistic::setParallel(myIsParallel); |
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if (iAmMaster() && isParallel()) |
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myDone.resize(myNum); |
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|
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report << plain << (isMPI ? "Using MPI." : "No MPI compilation.") << endr; |
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} else |
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if (iAmMaster()) |
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report << recoverable << "MPI is" << |
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((myInitialized) ? " " : " not ") << "initialized and is" << |
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((myFinalized) ? " " : " not ") << |
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"finalized. Called [Parallel::init].\n" << endr; |
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} |
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|
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void Parallel::finalize() { |
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if (ok("Called [Parallel::finalize].")) { |
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setOpenMDAbort(NULL); |
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setOpenMDExit(NULL); |
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setOpendMDStartSerial(NULL); |
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setOpenMDEndSerial(NULL); |
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#ifdef IS_MPI |
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if (iAmSlave()) |
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MPI_Comm_free(&slaveComm); |
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|
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if (myBuffer != NULL) { |
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int size; |
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MPI_Buffer_detach(myBuffer, &size); |
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delete[] myBuffer; |
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myBuffer = NULL; |
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} |
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FFTComplex::FFTComplexMPIFinalize(); |
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MPI_Finalize(); |
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#endif |
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myFinalized = true; |
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} |
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} |
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|
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bool Parallel::ok(const string &err) { |
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if (ok()) |
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return true; |
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|
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if (iAmMaster()) |
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report << recoverable << "MPI is" << ((myInitialized) ? " " : " not ") << |
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"initialized and is" << ((myFinalized) ? " " : " not ") << |
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"finalized. " << err << "\n" << endr; |
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return false; |
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} |
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|
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void Parallel::setMode(ParallelType mode) { |
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if (!ok("Called [Parallel::setMasterSlave]")) |
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return; |
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#ifndef IS_MPI |
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mode = ParallelType::STATIC; |
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#endif |
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if (!isParallel() || mode == ParallelType::UNDEFINED) |
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mode = ParallelType::STATIC; |
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|
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myMode = mode; |
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myAvailableNum = (mode == ParallelType::MASTERSLAVE ? myNum - 1 : myNum); |
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myIAmSlave = (mode == ParallelType::MASTERSLAVE ? (!myIAmMaster) : |
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true); |
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myAvailableId = |
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(myNum == myAvailableNum ? myId : |
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(myId == myMasterId ? -1 : (myId < myMasterId ? myId : myId - 1))); |
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#ifdef IS_MPI |
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if (slaveComm != MPI_COMM_NULL) |
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MPI_Comm_free(&slaveComm); |
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|
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// Create intracommunicator only with slaves |
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MPI_Group worldGroup = MPI_GROUP_NULL; |
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MPI_Group slaveGroup = MPI_GROUP_NULL; |
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int excl[] = { |
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myMasterId |
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}; |
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|
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MPI_Comm_group(MPI_COMM_WORLD, &worldGroup); |
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MPI_Group_excl(worldGroup, myNum - myAvailableNum, excl, &slaveGroup); |
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MPI_Comm_create(MPI_COMM_WORLD, slaveGroup, &slaveComm); |
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MPI_Group_free(&worldGroup); |
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MPI_Group_free(&slaveGroup); |
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if (slaveComm != MPI_COMM_NULL) |
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MPI_Comm_rank(slaveComm, &myAvailableId); |
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FFTComplex::FFTComplexMPIInit( |
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mode == ParallelType::MASTERSLAVE ? myMasterId : -1); |
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#endif |
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#ifdef DEBUG_PARALLEL |
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report << allnodesserial << "ParallelMode (" << getId << ") : " |
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<< getMode().getString() << endr; |
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#endif |
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} |
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|
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void Parallel::setPipeSize(int n) { |
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if (!ok("Called [Parallel::setPipeSize]")) |
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return; |
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myPipeSize = max(n, 0); |
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|
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#ifdef IS_MPI |
400 |
if (myBuffer != NULL) { |
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int size; |
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MPI_Buffer_detach(myBuffer, &size); |
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delete[] myBuffer; |
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myBuffer = NULL; |
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} |
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|
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// Allocate buffer for Bsend() |
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const int size = 3 * 2 * myNum * (myPipeSize + 1) + MPI_BSEND_OVERHEAD + 10; |
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myBuffer = new int[size]; |
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for (int i = 0; i < size; i++) |
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myBuffer[i] = 0; |
412 |
|
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MPI_Buffer_attach(myBuffer, static_cast<int>(size * sizeof(int))); |
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#endif |
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} |
416 |
|
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void Parallel::setMaxPackages(int n) { |
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if (!ok("Called [Parallel::setMaxPackages]")) |
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return; |
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myMaxPackages = n < 0 ? (isDynamic() ? 3 : 0) : |
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n; |
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} |
423 |
|
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Parallel::WorkState Parallel::getWorkState() { |
425 |
if (!isParallel()) |
426 |
return SEQUENTIAL; |
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else if (myMode == ParallelType::STATIC) |
428 |
return STATIC; |
429 |
else if (iAmMaster() && myMode == ParallelType::DYNAMIC) |
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return MASTER; |
431 |
else |
432 |
return SLAVE; |
433 |
} |
434 |
|
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void Parallel::sync() { |
436 |
#ifdef IS_MPI |
437 |
MPI_Barrier(MPI_COMM_WORLD); |
438 |
#endif |
439 |
} |
440 |
|
441 |
void Parallel::syncSlave() { |
442 |
#ifdef IS_MPI |
443 |
if (!iAmSlave() || !isParallel()) |
444 |
return; |
445 |
MPI_Barrier(slaveComm); |
446 |
#endif |
447 |
} |
448 |
|
449 |
// Senda a vector 3DBlock over MPI as an array. |
450 |
#ifdef IS_MPI |
451 |
void Parallel::send(Vector3DBlock *vect, int address) { |
452 |
/* Create a C-style array large enough to hold all the real values |
453 |
* (3 / Vector3D) |
454 |
*/ |
455 |
int size = vect->size(); |
456 |
Real *vectArray = new Real[3 * size]; |
457 |
if (vectArray == 0) { |
458 |
cout << "Can't create Parallel::send() array! Quitting!" << endl; |
459 |
MPI_Abort(MPI_COMM_WORLD, 1); |
460 |
} |
461 |
|
462 |
/* Start dumping the Vector3D into the array. This keeps us from having to |
463 |
* create an MPI struct, pack it, * and in general, mess with all that. |
464 |
* It's inefficient, but it's at least a start. It's designed such that |
465 |
* the array looks like {x1 y1 z1 x2 y2 z2 ... xN yN zN} for N Vector3D's */ |
466 |
for (int i = 0; i < size; i++) { |
467 |
vectArray[3 * i] = (*vect)[i][0]; |
468 |
vectArray[3 * i + 1] = (*vect)[i][1]; |
469 |
vectArray[3 * i + 2] = (*vect)[i][2]; |
470 |
} |
471 |
|
472 |
/* Since it's an array of Reals, we can use the plain old Parallel::send |
473 |
* routine since MPI can handle |
474 |
* both single values and arrays with the same function call */ |
475 |
send(vectArray, 3 * size, address); |
476 |
delete[] vectArray; |
477 |
} |
478 |
|
479 |
#else |
480 |
void Parallel::send(Vector3DBlock *, int) {} |
481 |
|
482 |
#endif |
483 |
|
484 |
// Same philosophy as Parallel::send, except we're receiving an array |
485 |
#ifdef IS_MPI |
486 |
void Parallel::recv(Vector3DBlock *vect, int address) { |
487 |
/* Create an array of proper size. */ |
488 |
int size = vect->size(); |
489 |
Real *vectArray = new Real[3 * size]; |
490 |
if (vectArray == 0) { |
491 |
cout << "Can't create Parallel::recv() array! Quitting!" << endl; |
492 |
MPI_Abort(MPI_COMM_WORLD, 1); |
493 |
} |
494 |
/* Since it's an array, the Parallel::recv() call is sufficient (don't you |
495 |
* just love function overloading?) */ |
496 |
recv(vectArray, 3 * size, address); |
497 |
/* Map the vector back onto an actual Vector3DBlock. The array looks like |
498 |
* this: {x1 y1 z1 x2 y2 z2 ... xN yN zN} */ |
499 |
for (int i = 0; i < size; i++) { |
500 |
(*vect)[i][0] = vectArray[3 * i]; |
501 |
(*vect)[i][1] = vectArray[3 * i + 1]; |
502 |
(*vect)[i][2] = vectArray[3 * i + 2]; |
503 |
} |
504 |
|
505 |
delete[] vectArray; |
506 |
} |
507 |
|
508 |
#else |
509 |
void Parallel::recv(Vector3DBlock *, int) {} |
510 |
|
511 |
#endif |
512 |
|
513 |
// Overwrites the Vector3D with a new one after sending it to another node |
514 |
#ifdef IS_MPI |
515 |
void Parallel::sendrecv_replace(Vector3DBlock *vect, int sendaddr, |
516 |
int recvaddr) { |
517 |
int size = vect->size(); |
518 |
Real *vectArray = new Real[3 * size]; |
519 |
if (vectArray == 0) { |
520 |
cout << "Can't create Parallel::send() array! Quitting!" << endl; |
521 |
MPI_Abort(MPI_COMM_WORLD, 1); |
522 |
} |
523 |
// Familiar mapping strategy... |
524 |
for (int i = 0; i < size; i++) { |
525 |
vectArray[3 * i] = (*vect)[i][0]; |
526 |
vectArray[3 * i + 1] = (*vect)[i][1]; |
527 |
vectArray[3 * i + 2] = (*vect)[i][2]; |
528 |
} |
529 |
|
530 |
// Reuse of function calls to actually handle the MPI calls |
531 |
sendrecv_replace(vectArray, 3 * size, sendaddr, recvaddr); |
532 |
// Map it back in to the Vector3D and nobody will ever know we mucked with |
533 |
// it... 8-) |
534 |
for (int i = 0; i < size; i++) { |
535 |
(*vect)[i][0] = vectArray[3 * i]; |
536 |
(*vect)[i][1] = vectArray[3 * i + 1]; |
537 |
(*vect)[i][2] = vectArray[3 * i + 2]; |
538 |
} |
539 |
|
540 |
delete[] vectArray; |
541 |
} |
542 |
|
543 |
#else |
544 |
void Parallel::sendrecv_replace(Vector3DBlock *, int, int) {} |
545 |
|
546 |
#endif |
547 |
|
548 |
#ifdef IS_MPI |
549 |
void Parallel::send(Real *data, int num, int address) { |
550 |
// Just a nice wrapper that automatically selects the MPI datatype for you |
551 |
// and handles all the annoying things |
552 |
MPI_Send(data, num, MPITypeTraits<Real>::datatype, address, 0, |
553 |
MPI_COMM_WORLD); |
554 |
} |
555 |
|
556 |
#else |
557 |
void Parallel::send(Real *, int, int) {} |
558 |
|
559 |
#endif |
560 |
|
561 |
#ifdef IS_MPI |
562 |
void Parallel::recv(Real *data, int num, int address) { |
563 |
// Another MPI wrapper function.... |
564 |
MPI_Status status; |
565 |
MPI_Recv(data, num, MPITypeTraits<Real>::datatype, address, 0, |
566 |
MPI_COMM_WORLD, |
567 |
&status); |
568 |
} |
569 |
|
570 |
#else |
571 |
void Parallel::recv(Real *, int, int) {} |
572 |
|
573 |
#endif |
574 |
|
575 |
#ifdef IS_MPI |
576 |
void Parallel::sendrecv(Real *senddata, int sendnum, int sendaddr, |
577 |
Real *recvdata, int recvnum, |
578 |
int recvaddr) { |
579 |
MPI_Status status; |
580 |
MPI_Sendrecv(senddata, sendnum, MPITypeTraits<Real>::datatype, sendaddr, 0, |
581 |
recvdata, recvnum, MPITypeTraits<Real>::datatype, recvaddr, 0, |
582 |
MPI_COMM_WORLD, |
583 |
&status); |
584 |
} |
585 |
|
586 |
#else |
587 |
void Parallel::sendrecv(Real *, int, int, Real *, int, int) {} |
588 |
|
589 |
#endif |
590 |
|
591 |
#ifdef IS_MPI |
592 |
void Parallel::sendrecv_replace(Real *data, int num, int sendaddr, |
593 |
int recvaddr) { |
594 |
MPI_Status status; |
595 |
MPI_Sendrecv_replace(data, num, MPITypeTraits<Real>::datatype, sendaddr, 0, |
596 |
recvaddr, 0, MPI_COMM_WORLD, |
597 |
&status); |
598 |
} |
599 |
|
600 |
#else |
601 |
void Parallel::sendrecv_replace(Real *, int, int, int) {} |
602 |
|
603 |
#endif |
604 |
|
605 |
#ifdef IS_MPI |
606 |
void Parallel::gather(Real *data, int num, Real *data_array, int address) { |
607 |
MPI_Gather(data, num, MPITypeTraits<Real>::datatype, data_array, num, |
608 |
MPITypeTraits<Real>::datatype, address, |
609 |
MPI_COMM_WORLD); |
610 |
} |
611 |
|
612 |
#else |
613 |
void Parallel::gather(Real *, int, Real *, int) {} |
614 |
|
615 |
#endif |
616 |
|
617 |
#ifdef IS_MPI |
618 |
void Parallel::allgather(Real *data, int num, Real *data_array) { |
619 |
MPI_Allgather(data, num, MPITypeTraits<Real>::datatype, data_array, num, |
620 |
MPITypeTraits<Real>::datatype, |
621 |
MPI_COMM_WORLD); |
622 |
} |
623 |
|
624 |
#else |
625 |
void Parallel::allgather(Real *, int, Real *) {} |
626 |
|
627 |
#endif |
628 |
|
629 |
#ifdef IS_MPI |
630 |
void Parallel::reduceSlaves(Real *begin, Real *end) { |
631 |
if (!iAmSlave() || !isParallel()) |
632 |
return; |
633 |
TimerStatistic::timer[TimerStatistic::COMMUNICATION].start(); |
634 |
|
635 |
allReduce<true, true>(begin, end); |
636 |
|
637 |
TimerStatistic::timer[TimerStatistic::COMMUNICATION].stop(); |
638 |
} |
639 |
|
640 |
#else |
641 |
void Parallel::reduceSlaves(Real *, Real *) {} |
642 |
|
643 |
#endif |
644 |
|
645 |
#ifdef IS_MPI |
646 |
void Parallel::distribute(ScalarStructure *energies, Vector3DBlock *coords) { |
647 |
if (!iAmMaster() && !energies->distributed()) { |
648 |
energies->clear(); |
649 |
coords->zero(); |
650 |
}- |
651 |
energies->distribute(); |
652 |
coords->distribute(); |
653 |
} |
654 |
|
655 |
#else |
656 |
void Parallel::distribute(ScalarStructure *, Vector3DBlock *) {} |
657 |
|
658 |
#endif |
659 |
|
660 |
#ifdef IS_MPI |
661 |
void Parallel::reduce(ScalarStructure *energies, Vector3DBlock *coords) { |
662 |
energies->reduce(); |
663 |
coords->reduce(); |
664 |
if (!isParallel() || energies->distributed()) |
665 |
return; |
666 |
TimerStatistic::timer[TimerStatistic::COMMUNICATION].start(); |
667 |
|
668 |
allReduce<false, true>(coords); |
669 |
allReduce<false, false>(energies); |
670 |
|
671 |
TimerStatistic::timer[TimerStatistic::COMMUNICATION].stop(); |
672 |
} |
673 |
|
674 |
#else |
675 |
void Parallel::reduce(ScalarStructure *, Vector3DBlock *) {} |
676 |
|
677 |
#endif |
678 |
|
679 |
#ifdef IS_MPI |
680 |
void Parallel::bcast(Vector3DBlock *coords) { |
681 |
if (!isParallel()) |
682 |
return; |
683 |
broadcast<false, true>(coords); |
684 |
} |
685 |
|
686 |
#else |
687 |
void Parallel::bcast(Vector3DBlock *) {} |
688 |
|
689 |
#endif |
690 |
|
691 |
#ifdef IS_MPI |
692 |
void Parallel::bcast(int &n) { |
693 |
if (!isParallel()) |
694 |
return; |
695 |
broadcastScalar<false, true>(n); |
696 |
} |
697 |
|
698 |
#else |
699 |
void Parallel::bcast(int &) {} |
700 |
|
701 |
#endif |
702 |
|
703 |
#ifdef IS_MPI |
704 |
void Parallel::bcastSlaves(Real *begin, Real *end) { |
705 |
if (!iAmSlave() || !isParallel()) |
706 |
return; |
707 |
TimerStatistic::timer[TimerStatistic::COMMUNICATION].start(); |
708 |
|
709 |
broadcast<true, true>(begin, end); |
710 |
|
711 |
TimerStatistic::timer[TimerStatistic::COMMUNICATION].stop(); |
712 |
} |
713 |
|
714 |
#else |
715 |
void Parallel::bcastSlaves(Real *, Real *) {} |
716 |
|
717 |
#endif |
718 |
|
719 |
unsigned int Parallel::getNumberOfPackages(unsigned int n) { |
720 |
if (getMaxPackages() < 1 || |
721 |
static_cast<unsigned int>(getAvailableNum()) >= n) |
722 |
return n; |
723 |
return min(n / getAvailableNum(), |
724 |
static_cast<unsigned int>(getMaxPackages())) |
725 |
* static_cast<unsigned int>(getAvailableNum()); |
726 |
} |
727 |
|
728 |
void Parallel::resetNext(const vector<int> &blocks) { |
729 |
resetNext(); |
730 |
if (!iAmMaster()) |
731 |
return; |
732 |
#ifdef IS_MPI |
733 |
if (blocks.empty()) |
734 |
return; |
735 |
|
736 |
// Vector of ranges (n0,n1,n3, ... ,nM, -1, -1, ..., -1) |
737 |
// n0,n1,n3, ... ,nM are the numbers a slave will call next() |
738 |
// for one given force |
739 |
// A slave will call next() and check if the |
740 |
// actual number of next()-calls is inside the |
741 |
// range received by the master and compute if true. |
742 |
int n = 0; |
743 |
for (unsigned int i = 0; i < blocks.size(); i++) |
744 |
n += blocks[i]; |
745 |
|
746 |
if (n < 1) |
747 |
return; |
748 |
|
749 |
myBlockList.resize(n + 1 + myAvailableNum + 1); |
750 |
for (unsigned int i = 0; static_cast<int>(i) <= n; i++) |
751 |
myBlockList[i] = i; |
752 |
|
753 |
// Adding ranges (-1,-1) to indicate that there is no more |
754 |
// to compute. |
755 |
for (unsigned int i = n + 1; i < myBlockList.size(); i++) |
756 |
myBlockList[i] = -1; |
757 |
|
758 |
#ifdef DEBUG_PARALLEL |
759 |
report << allnodes << plain << "Blocks :"; |
760 |
for (unsigned int i = 0; i < myBlockList.size(); i++) |
761 |
report << myBlockList[i] << " "; |
762 |
|
763 |
report << endr; |
764 |
#endif |
765 |
// Fill up the pipe ... |
766 |
myI = 0; // Actual range index |
767 |
myRecv = 1; // Number of pending recieves |
768 |
// One more since one slave will send a request but not call |
769 |
// recv for the last range |
770 |
int stop = 0; // |
771 |
myP = 0; |
772 |
myDone[myId] = 0; |
773 |
for (int j = 0; j < (myPipeSize + 1) * myNum; j++) { |
774 |
if (stop == myNum - 1) |
775 |
break; |
776 |
|
777 |
int myP = j % myNum; |
778 |
if (myP == myMasterId) |
779 |
continue; |
780 |
|
781 |
MPI_Bsend(&(myBlockList[myI]), 2, MPI_INT, myP, SEND_RANGE, |
782 |
MPI_COMM_WORLD); |
783 |
#ifdef DEBUG_PARALLEL |
784 |
report << allnodes << plain << "Block[" << myI << "] = [" << |
785 |
myBlockList[myI] << "," << |
786 |
myBlockList[myI + 1] << "] to " << myP << "." << endr; |
787 |
#endif |
788 |
myDone[myP] = (myBlockList[myI + 2] < 0 ? 1 : 0); |
789 |
if (myDone[myP] != 0) |
790 |
stop++; |
791 |
if (myDone[myP] == 0) |
792 |
myRecv++; |
793 |
myI++; |
794 |
} |
795 |
|
796 |
if (myMode == ParallelType::MASTERSLAVE) |
797 |
nextMaster(); |
798 |
#endif |
799 |
} |
800 |
|
801 |
void Parallel::nextMaster() { |
802 |
#ifdef IS_MPI |
803 |
#ifdef DEBUG_PARALLEL |
804 |
report << allnodes << plain << "Parallel::nextMaster Recv " << myRecv << |
805 |
"." << endr; |
806 |
#endif |
807 |
while (myRecv > 0) { |
808 |
int test = 0; |
809 |
MPI_Status status; |
810 |
char tmp[1]; |
811 |
|
812 |
// Receiving the request for a new range from a slave. |
813 |
// We wait until we got a msg. Note that waiting for ANY_SOURCE |
814 |
// could lead to a starving of some nodes. |
815 |
while (!test) { |
816 |
myP = (1 + myP) % myNum; |
817 |
if (myP != myMasterId) |
818 |
MPI_Iprobe(myP, NEED_RANGE, MPI_COMM_WORLD, &test, &status); |
819 |
} |
820 |
|
821 |
MPI_Recv(tmp, 0, MPI_CHAR, myP, NEED_RANGE, MPI_COMM_WORLD, &status); |
822 |
myRecv--; |
823 |
#ifdef DEBUG_PARALLEL |
824 |
report << allnodes << plain << "Recieve from " << myP << "." << endr; |
825 |
report << allnodes << plain << "Recv " << myRecv << "." << endr; |
826 |
#endif |
827 |
|
828 |
// We skip to send a further range if the node got the last |
829 |
// range since the that node will terminate without |
830 |
// receiving any messages. |
831 |
if (myDone[myP] == 0) { |
832 |
MPI_Bsend(&(myBlockList[myI]), 2, MPI_INT, myP, SEND_RANGE, |
833 |
MPI_COMM_WORLD); |
834 |
#ifdef DEBUG_PARALLEL |
835 |
report << allnodes << plain << "Block[" << myI << "] = [" << |
836 |
myBlockList[myI] << "," << |
837 |
myBlockList[myI + 1] << "] to " << myP << "." << endr; |
838 |
#endif |
839 |
myDone[myP] = (myBlockList[myI + 2] < 0 ? 1 : 0); |
840 |
if (myDone[myP] == 0) |
841 |
myRecv++; |
842 |
myI++; |
843 |
} |
844 |
} |
845 |
#endif |
846 |
|
847 |
} |
848 |
|
849 |
bool Parallel::next() { |
850 |
bool doNext = true; |
851 |
|
852 |
#ifdef DEBUG_PARALLEL |
853 |
int oldNext = myNext; |
854 |
#endif |
855 |
switch (myWorkState) { |
856 |
#ifdef IS_MPI |
857 |
case MASTER: |
858 |
|
859 |
do |
860 |
{ |
861 |
|
862 |
} while (condition);Next = false; |
863 |
do { |
864 |
for (int k = 0; k < myNum; ++k) { |
865 |
myP = (1 + myP) % myNum; |
866 |
if (myP == myMasterId) |
867 |
continue; |
868 |
|
869 |
int test = 0; |
870 |
MPI_Status status; |
871 |
char tmp[1]; |
872 |
|
873 |
MPI_Iprobe(myP, NEED_RANGE, MPI_COMM_WORLD, &test, &status); |
874 |
|
875 |
if (test) { |
876 |
MPI_Recv(tmp, 0, MPI_CHAR, myP, NEED_RANGE, MPI_COMM_WORLD, &status); |
877 |
myRecv--; |
878 |
#ifdef DEBUG_PARALLEL |
879 |
report << allnodes << plain << "Recieve from " << myP << "." << |
880 |
endr; |
881 |
#endif |
882 |
|
883 |
// We skip to send a further range if the node got the last |
884 |
// range since the that node will terminate without |
885 |
// receiving any messages. |
886 |
if (myDone[myP] == 0) { |
887 |
MPI_Bsend(&(myBlockList[myI]), 2, MPI_INT, myP, SEND_RANGE, |
888 |
MPI_COMM_WORLD); |
889 |
#if defined (DEBUG_PARALLEL) |
890 |
report << allnodes << plain << "Block[" << myI << "] = [" << |
891 |
myBlockList[myI] << "," << |
892 |
myBlockList[myI + 1] << "] to " << myP << "." << endr; |
893 |
#endif |
894 |
myDone[myP] = (myBlockList[myI + 2] < 0 ? 1 : 0); |
895 |
if (myDone[myP] == 0) |
896 |
myRecv++; |
897 |
myI++; |
898 |
} |
899 |
} |
900 |
} |
901 |
} while (myBlockList[myI + 2] < 0 && myBlockList[myI + 0] >= 0 && |
902 |
myBlockList[myI + 1] >= 0); |
903 |
|
904 |
if (myNextRange[1] == myNext) { |
905 |
myNextRange[0] = myBlockList[myI]; |
906 |
myNextRange[1] = myBlockList[myI + 1]; |
907 |
myDone[myId] = (myBlockList[myI + 2] < 0 ? 1 : 0); |
908 |
#if defined (DEBUG_PARALLEL) |
909 |
report << allnodes << plain << "Block[" << myI << "] = [" << |
910 |
myBlockList[myI] << "," << |
911 |
myBlockList[myI + 1] << "] to " << getId() << "." << endr; |
912 |
#endif |
913 |
myI++; |
914 |
} |
915 |
doNext = !(myNext < myNextRange[0] || myNextRange[1] < 0); |
916 |
myNext++; |
917 |
|
918 |
#ifdef DEBUG_PARALLEL |
919 |
report << allnodes << plain << "Recv " << myRecv << "." << endr; |
920 |
#endif |
921 |
if (myDone[myId] != 0) |
922 |
nextMaster(); |
923 |
|
924 |
break; |
925 |
|
926 |
case Parallel::SLAVE: |
927 |
if (myNextRange[1] == myNext) { |
928 |
// We need a new range from the master |
929 |
char tmp[1]; |
930 |
MPI_Status status; |
931 |
TimerStatistic::timer[TimerStatistic::IDLE].start(); |
932 |
#ifdef DEBUG_PARALLEL |
933 |
report << allnodes << plain << "Recv new block " << getId() << "." << |
934 |
endr; |
935 |
#endif |
936 |
MPI_Recv(myNextRange, 2, MPI_INT, myMasterId, SEND_RANGE, |
937 |
MPI_COMM_WORLD, |
938 |
&status); |
939 |
#ifdef DEBUG_PARALLEL |
940 |
report << allnodes << plain << "Recv new block " << getId() << " [" << |
941 |
myNextRange[0] << "," << myNextRange[1] << "]." << endr; |
942 |
#endif |
943 |
// Asking for the next range such we have it when we need it next time. |
944 |
TimerStatistic::timer[TimerStatistic::IDLE].stop(); |
945 |
if (myNextRange[1] >= 0) { |
946 |
MPI_Bsend(tmp, 0, MPI_CHAR, myMasterId, NEED_RANGE, MPI_COMM_WORLD); |
947 |
#ifdef DEBUG_PARALLEL |
948 |
report << allnodes << plain << "Ask new block " << getId() << "." << |
949 |
endr; |
950 |
#endif |
951 |
} |
952 |
if (myNextRange[1] < 0) |
953 |
myWorkState = DONE; |
954 |
} |
955 |
|
956 |
doNext = !(myNext < myNextRange[0] || myNextRange[1] < 0); |
957 |
myNext++; |
958 |
|
959 |
break; |
960 |
#endif |
961 |
|
962 |
case DONE: |
963 |
doNext = false; |
964 |
break; |
965 |
|
966 |
case STATIC: |
967 |
doNext = (myNext == myId); |
968 |
myNext = (myNext + 1) % myNum; |
969 |
break; |
970 |
|
971 |
case SEQUENTIAL: |
972 |
default: |
973 |
break; |
974 |
} |
975 |
|
976 |
#ifdef DEBUG_PARALLEL |
977 |
report << allnodes << plain << "Next (" << getId() << ") : " |
978 |
<< (bool)doNext << ", " << myWorkState << ", " << oldNext << ", [" |
979 |
<< myNextRange[0] << "," << myNextRange[1] << "]" << endr; |
980 |
#endif |
981 |
return doNext; |
982 |
} |
983 |
|
984 |
void Parallel::isolateNode() { |
985 |
if (myIsolated == false) { |
986 |
myOldId = myId; |
987 |
myOldNum = myNum; |
988 |
myOldMode = myMode; |
989 |
myIsolated = true; |
990 |
|
991 |
myId = 0; |
992 |
myNum = 1; |
993 |
myIsParallel = false; |
994 |
myIAmMaster = (myId == myMasterId); |
995 |
} |
996 |
} |
997 |
|
998 |
void Parallel::integrateNode() { |
999 |
if (myIsolated == true) { |
1000 |
myId = myOldId; |
1001 |
myNum = myOldNum; |
1002 |
myIsolated = false; |
1003 |
|
1004 |
myIsParallel = (myNum > 1); |
1005 |
myIAmMaster = (myId == myMasterId); |
1006 |
} |
1007 |
} |
1008 |
|
1009 |
|
1010 |
|
1011 |
|
1012 |
|
1013 |
|
1014 |
|
1015 |
|
1016 |
|
1017 |
|