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root/OpenMD/trunk/src/brains/SimCreator.cpp
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Comparing trunk/src/brains/SimCreator.cpp (file contents):
Revision 1953 by gezelter, Thu Dec 5 18:19:26 2013 UTC vs.
Revision 1969 by gezelter, Wed Feb 26 14:14:50 2014 UTC

# Line 103 | Line 103 | namespace OpenMD {
103        const int masterNode = 0;
104  
105        if (worldRank == masterNode) {
106 <        MPI::COMM_WORLD.Bcast(&mdFileVersion, 1, MPI::INT, masterNode);
106 >        MPI_Bcast(&mdFileVersion, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
107 >        // MPI::COMM_WORLD.Bcast(&mdFileVersion, 1, MPI::INT, masterNode);
108   #endif                
109          SimplePreprocessor preprocessor;
110 <        preprocessor.preprocess(rawMetaDataStream, filename, startOfMetaDataBlock, ppStream);
110 >        preprocessor.preprocess(rawMetaDataStream, filename,
111 >                                startOfMetaDataBlock, ppStream);
112                  
113   #ifdef IS_MPI            
114 <        //brocasting the stream size
114 >        //broadcasting the stream size
115          streamSize = ppStream.str().size() +1;
116 <        MPI::COMM_WORLD.Bcast(&streamSize, 1, MPI::LONG, masterNode);
117 <        MPI::COMM_WORLD.Bcast(static_cast<void*>(const_cast<char*>(ppStream.str().c_str())), streamSize, MPI::CHAR, masterNode);
116 >        MPI_Bcast(&streamSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD);
117 >        MPI_Bcast(static_cast<void*>(const_cast<char*>(ppStream.str().c_str())),
118 >                  streamSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);
119 >
120 >        // MPI::COMM_WORLD.Bcast(&streamSize, 1, MPI::LONG, masterNode);
121 >        // MPI::COMM_WORLD.Bcast(static_cast<void*>(const_cast<char*>(ppStream.str().c_str())),
122 >        //                       streamSize, MPI::CHAR, masterNode);
123                            
124        } else {
118 –        MPI::COMM_WORLD.Bcast(&mdFileVersion, 1, MPI::INT, masterNode);
125  
126 <        //get stream size
127 <        MPI::COMM_WORLD.Bcast(&streamSize, 1, MPI::LONG, masterNode);
126 >        MPI_Bcast(&mdFileVersion, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
127 >        // MPI::COMM_WORLD.Bcast(&mdFileVersion, 1, MPI::INT, masterNode);
128  
129 +        //get stream size
130 +        MPI_Bcast(&streamSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD);
131 +        // MPI::COMM_WORLD.Bcast(&streamSize, 1, MPI::LONG, masterNode);
132          char* buf = new char[streamSize];
133          assert(buf);
134                  
135          //receive file content
136 <        MPI::COMM_WORLD.Bcast(buf, streamSize, MPI::CHAR, masterNode);
137 <                
136 >        MPI_Bcast(buf, streamSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);
137 >        // MPI::COMM_WORLD.Bcast(buf, streamSize, MPI::CHAR, masterNode);
138 >
139          ppStream.str(buf);
140          delete [] buf;
141        }
# Line 149 | Line 159 | namespace OpenMD {
159        parser.initializeASTFactory(factory);
160        parser.setASTFactory(&factory);
161        parser.mdfile();
152 –
162        // Create a tree parser that reads information into Globals
163        MDTreeParser treeParser;
164        treeParser.initializeASTFactory(factory);
# Line 520 | Line 529 | namespace OpenMD {
529                                                      // error
530                                                      // condition:
531      
532 <    nProcessors = MPI::COMM_WORLD.Get_size();
532 >    MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);    
533 >    //nProcessors = MPI::COMM_WORLD.Get_size();
534      
535      if (nProcessors > nGlobalMols) {
536        sprintf(painCave.errMsg,
# Line 639 | Line 649 | namespace OpenMD {
649        delete myRandom;
650  
651        // Spray out this nonsense to all other processors:
652 <      MPI::COMM_WORLD.Bcast(&molToProcMap[0], nGlobalMols, MPI::INT, 0);
652 >      MPI_Bcast(&molToProcMap[0], nGlobalMols, MPI_INT, 0, MPI_COMM_WORLD);
653 >      // MPI::COMM_WORLD.Bcast(&molToProcMap[0], nGlobalMols, MPI::INT, 0);
654      } else {
655        
656        // Listen to your marching orders from processor 0:
657 <      MPI::COMM_WORLD.Bcast(&molToProcMap[0], nGlobalMols, MPI::INT, 0);
657 >      MPI_Bcast(&molToProcMap[0], nGlobalMols, MPI_INT, 0, MPI_COMM_WORLD);
658 >      // MPI::COMM_WORLD.Bcast(&molToProcMap[0], nGlobalMols, MPI::INT, 0);
659  
660      }
661      
# Line 917 | Line 929 | namespace OpenMD {
929      // This would be prettier if we could use MPI_IN_PLACE like the MPI-2
930      // docs said we could.
931      std::vector<int> tmpGroupMembership(info->getNGlobalAtoms(), 0);
932 <    MPI::COMM_WORLD.Allreduce(&globalGroupMembership[0],
933 <                              &tmpGroupMembership[0], nGlobalAtoms,
934 <                              MPI::INT, MPI::SUM);
932 >    MPI_Allreduce(&globalGroupMembership[0],
933 >                  &tmpGroupMembership[0], nGlobalAtoms,
934 >                  MPI_INT, MPI_SUM, MPI_COMM_WORLD);
935 >    // MPI::COMM_WORLD.Allreduce(&globalGroupMembership[0],
936 >    //                           &tmpGroupMembership[0], nGlobalAtoms,
937 >    //                           MPI::INT, MPI::SUM);
938      info->setGlobalGroupMembership(tmpGroupMembership);
939   #else
940      info->setGlobalGroupMembership(globalGroupMembership);
# Line 943 | Line 958 | namespace OpenMD {
958   #ifdef IS_MPI
959      std::vector<int> tmpMolMembership(info->getNGlobalAtoms() +
960                                        info->getNGlobalRigidBodies(), 0);
961 <    MPI::COMM_WORLD.Allreduce(&globalMolMembership[0], &tmpMolMembership[0],
962 <                              nGlobalAtoms + nGlobalRigidBodies,
963 <                              MPI::INT, MPI::SUM);
961 >    MPI_Allreduce(&globalMolMembership[0], &tmpMolMembership[0],
962 >                  nGlobalAtoms + nGlobalRigidBodies,
963 >                  MPI_INT, MPI_SUM, MPI_COMM_WORLD);
964 >    // MPI::COMM_WORLD.Allreduce(&globalMolMembership[0], &tmpMolMembership[0],
965 >    //                           nGlobalAtoms + nGlobalRigidBodies,
966 >    //                           MPI::INT, MPI::SUM);
967      
968      info->setGlobalMolMembership(tmpMolMembership);
969   #else
# Line 963 | Line 981 | namespace OpenMD {
981      
982   #ifdef IS_MPI
983      std::vector<int> numIntegrableObjectsPerMol(info->getNGlobalMolecules(), 0);
984 <    MPI::COMM_WORLD.Allreduce(&nIOPerMol[0], &numIntegrableObjectsPerMol[0],
985 <                              info->getNGlobalMolecules(), MPI::INT, MPI::SUM);
984 >    MPI_Allreduce(&nIOPerMol[0], &numIntegrableObjectsPerMol[0],
985 >      info->getNGlobalMolecules(), MPI_INT, MPI_SUM, MPI_COMM_WORLD);
986 >    // MPI::COMM_WORLD.Allreduce(&nIOPerMol[0], &numIntegrableObjectsPerMol[0],
987 >    //                           info->getNGlobalMolecules(), MPI::INT, MPI::SUM);
988   #else
989      std::vector<int> numIntegrableObjectsPerMol = nIOPerMol;
990   #endif    

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