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root/OpenMD/trunk/src/parallel/ForceMatrixDecomposition.cpp
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Comparing trunk/src/parallel/ForceMatrixDecomposition.cpp (file contents):
Revision 1939 by gezelter, Thu Oct 31 18:18:57 2013 UTC vs.
Revision 1971 by gezelter, Fri Feb 28 13:25:13 2014 UTC

# Line 119 | Line 119 | namespace OpenMD {
119      
120   #ifdef IS_MPI
121  
122 <    MPI::Intracomm row = rowComm.getComm();
123 <    MPI::Intracomm col = colComm.getComm();
122 >    MPI_Comm row = rowComm.getComm();
123 >    MPI_Comm col = colComm.getComm();
124  
125      AtomPlanIntRow = new Plan<int>(row, nLocal_);
126      AtomPlanRealRow = new Plan<RealType>(row, nLocal_);
# Line 424 | Line 424 | namespace OpenMD {
424                                       gTypeCutoffs.end());
425  
426   #ifdef IS_MPI
427 <    MPI::COMM_WORLD.Allreduce(&groupMax, &groupMax, 1, MPI::REALTYPE,
428 <                              MPI::MAX);
427 >    MPI_Allreduce(MPI_IN_PLACE, &groupMax, 1, MPI_REALTYPE,
428 >                  MPI_MAX, MPI_COMM_WORLD);
429   #endif
430      
431      RealType tradRcut = groupMax;
# Line 916 | Line 916 | namespace OpenMD {
916      for (int ii = 0; ii < N_INTERACTION_FAMILIES; ii++) {
917        RealType ploc1 = pairwisePot[ii];
918        RealType ploc2 = 0.0;
919 <      MPI::COMM_WORLD.Allreduce(&ploc1, &ploc2, 1, MPI::REALTYPE, MPI::SUM);
919 >      MPI_Allreduce(&ploc1, &ploc2, 1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
920        pairwisePot[ii] = ploc2;
921      }
922  
923      for (int ii = 0; ii < N_INTERACTION_FAMILIES; ii++) {
924        RealType ploc1 = excludedPot[ii];
925        RealType ploc2 = 0.0;
926 <      MPI::COMM_WORLD.Allreduce(&ploc1, &ploc2, 1, MPI::REALTYPE, MPI::SUM);
926 >      MPI_Allreduce(&ploc1, &ploc2, 1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
927        excludedPot[ii] = ploc2;
928      }
929  
930      // Here be dragons.
931 <    MPI::Intracomm col = colComm.getComm();
931 >    MPI_Comm col = colComm.getComm();
932  
933 <    col.Allreduce(MPI::IN_PLACE,
933 >    MPI_Allreduce(MPI_IN_PLACE,
934                    &snap_->frameData.conductiveHeatFlux[0], 3,
935 <                  MPI::REALTYPE, MPI::SUM);
935 >                  MPI_REALTYPE, MPI_SUM, col);
936  
937  
938   #endif
# Line 951 | Line 951 | namespace OpenMD {
951      for (int ii = 0; ii < N_INTERACTION_FAMILIES; ii++) {
952        RealType ploc1 = embeddingPot[ii];
953        RealType ploc2 = 0.0;
954 <      MPI::COMM_WORLD.Allreduce(&ploc1, &ploc2, 1, MPI::REALTYPE, MPI::SUM);
954 >      MPI_Allreduce(&ploc1, &ploc2, 1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
955        embeddingPot[ii] = ploc2;
956      }    
957      for (int ii = 0; ii < N_INTERACTION_FAMILIES; ii++) {
958        RealType ploc1 = excludedSelfPot[ii];
959        RealType ploc2 = 0.0;
960 <      MPI::COMM_WORLD.Allreduce(&ploc1, &ploc2, 1, MPI::REALTYPE, MPI::SUM);
960 >      MPI_Allreduce(&ploc1, &ploc2, 1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
961        excludedSelfPot[ii] = ploc2;
962      }    
963   #endif

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