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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 & Gezelter, in progress (2009). |
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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 |
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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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|
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// Allocate buffer for Bsend() |
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const int size = 3 * 2 * myNum * (myPipeSize + 1) + MPI_BSEND_OVERHEAD + 10; |
| 409 |
myBuffer = new int[size]; |
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for (int i = 0; i < size; i++) |
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myBuffer[i] = 0; |
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|
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MPI_Buffer_attach(myBuffer, static_cast<int>(size * sizeof(int))); |
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#endif |
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} |
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|
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void Parallel::setMaxPackages(int n) { |
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if (!ok("Called [Parallel::setMaxPackages]")) |
| 419 |
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()) |
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return SEQUENTIAL; |
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else if (myMode == ParallelType::STATIC) |
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return STATIC; |
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else if (iAmMaster() && myMode == ParallelType::DYNAMIC) |
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return MASTER; |
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else |
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return SLAVE; |
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} |
| 434 |
|
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void Parallel::sync() { |
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#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 |
|