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root/OpenMD/trunk/src/brains/SimCreator.cpp
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Comparing trunk/src/brains/SimCreator.cpp (file contents):
Revision 1795 by gezelter, Fri Aug 31 21:16:10 2012 UTC vs.
Revision 1796 by gezelter, Mon Sep 10 18:38:44 2012 UTC

# Line 506 | Line 506 | namespace OpenMD {
506      int nGlobalMols = info->getNGlobalMolecules();
507      std::vector<int> molToProcMap(nGlobalMols, -1); // default to an error condition:
508      
509 <    MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
509 >    nProcessors = MPI::COMM_WORLD.Get_size();
510      
511      if (nProcessors > nGlobalMols) {
512        sprintf(painCave.errMsg,
# Line 621 | Line 621 | namespace OpenMD {
621        delete myRandom;
622        
623        // Spray out this nonsense to all other processors:
624 <      
625 <      MPI_Bcast(&molToProcMap[0], nGlobalMols, MPI_INT, 0, MPI_COMM_WORLD);
624 >      MPI::COMM_WORLD.Bcast(&molToProcMap[0], nGlobalMols, MPI::INT, 0);
625      } else {
626        
627        // Listen to your marching orders from processor 0:
628 <      
630 <      MPI_Bcast(&molToProcMap[0], nGlobalMols, MPI_INT, 0, MPI_COMM_WORLD);
628 >      MPI::COMM_WORLD.Bcast(&molToProcMap[0], nGlobalMols, MPI::INT, 0);
629      }
630      
631      info->setMolToProcMap(molToProcMap);
# Line 851 | Line 849 | namespace OpenMD {
849      // This would be prettier if we could use MPI_IN_PLACE like the MPI-2
850      // docs said we could.
851      std::vector<int> tmpGroupMembership(info->getNGlobalAtoms(), 0);
852 <    MPI_Allreduce(&globalGroupMembership[0], &tmpGroupMembership[0], nGlobalAtoms,
853 <                  MPI_INT, MPI_SUM, MPI_COMM_WORLD);
852 >    MPI::COMM_WORLD.Allreduce(&globalGroupMembership[0],
853 >                              &tmpGroupMembership[0], nGlobalAtoms,
854 >                              MPI::INT, MPI::SUM);
855      info->setGlobalGroupMembership(tmpGroupMembership);
856   #else
857      info->setGlobalGroupMembership(globalGroupMembership);
# Line 869 | Line 868 | namespace OpenMD {
868      
869   #ifdef IS_MPI
870      std::vector<int> tmpMolMembership(info->getNGlobalAtoms(), 0);
871 +    MPI::COMM_WORLD.Allreduce(&globalMolMembership[0], &tmpMolMembership[0],
872 +                              nGlobalAtoms,
873 +                              MPI::INT, MPI::SUM);
874      
873 –    MPI_Allreduce(&globalMolMembership[0], &tmpMolMembership[0], nGlobalAtoms,
874 –                  MPI_INT, MPI_SUM, MPI_COMM_WORLD);
875 –    
875      info->setGlobalMolMembership(tmpMolMembership);
876   #else
877      info->setGlobalMolMembership(globalMolMembership);
# Line 888 | Line 887 | namespace OpenMD {
887      
888   #ifdef IS_MPI
889      std::vector<int> numIntegrableObjectsPerMol(info->getNGlobalMolecules(), 0);
890 <    MPI_Allreduce(&nIOPerMol[0], &numIntegrableObjectsPerMol[0],
891 <                  info->getNGlobalMolecules(), MPI_INT, MPI_SUM, MPI_COMM_WORLD);
890 >    MPI::COMM_WORLD.Allreduce(&nIOPerMol[0], &numIntegrableObjectsPerMol[0],
891 >                              info->getNGlobalMolecules(), MPI::INT, MPI::SUM);
892   #else
893      std::vector<int> numIntegrableObjectsPerMol = nIOPerMol;
894   #endif    

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