--- trunk/src/parallel/ForceMatrixDecomposition.cpp 2013/10/31 18:18:57 1939 +++ trunk/src/parallel/ForceMatrixDecomposition.cpp 2014/02/26 14:14:50 1969 @@ -119,8 +119,8 @@ namespace OpenMD { #ifdef IS_MPI - MPI::Intracomm row = rowComm.getComm(); - MPI::Intracomm col = colComm.getComm(); + MPI_Comm row = rowComm.getComm(); + MPI_Comm col = colComm.getComm(); AtomPlanIntRow = new Plan(row, nLocal_); AtomPlanRealRow = new Plan(row, nLocal_); @@ -424,8 +424,8 @@ namespace OpenMD { gTypeCutoffs.end()); #ifdef IS_MPI - MPI::COMM_WORLD.Allreduce(&groupMax, &groupMax, 1, MPI::REALTYPE, - MPI::MAX); + MPI_Allreduce(&groupMax, &groupMax, 1, MPI_REALTYPE, + MPI_MAX, MPI_COMM_WORLD); #endif RealType tradRcut = groupMax; @@ -916,23 +916,23 @@ namespace OpenMD { for (int ii = 0; ii < N_INTERACTION_FAMILIES; ii++) { RealType ploc1 = pairwisePot[ii]; RealType ploc2 = 0.0; - MPI::COMM_WORLD.Allreduce(&ploc1, &ploc2, 1, MPI::REALTYPE, MPI::SUM); + MPI_Allreduce(&ploc1, &ploc2, 1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD); pairwisePot[ii] = ploc2; } for (int ii = 0; ii < N_INTERACTION_FAMILIES; ii++) { RealType ploc1 = excludedPot[ii]; RealType ploc2 = 0.0; - MPI::COMM_WORLD.Allreduce(&ploc1, &ploc2, 1, MPI::REALTYPE, MPI::SUM); + MPI_Allreduce(&ploc1, &ploc2, 1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD); excludedPot[ii] = ploc2; } // Here be dragons. - MPI::Intracomm col = colComm.getComm(); + MPI_Comm col = colComm.getComm(); - col.Allreduce(MPI::IN_PLACE, + MPI_Allreduce(MPI_IN_PLACE, &snap_->frameData.conductiveHeatFlux[0], 3, - MPI::REALTYPE, MPI::SUM); + MPI_REALTYPE, MPI_SUM, col); #endif @@ -951,13 +951,13 @@ namespace OpenMD { for (int ii = 0; ii < N_INTERACTION_FAMILIES; ii++) { RealType ploc1 = embeddingPot[ii]; RealType ploc2 = 0.0; - MPI::COMM_WORLD.Allreduce(&ploc1, &ploc2, 1, MPI::REALTYPE, MPI::SUM); + MPI_Allreduce(&ploc1, &ploc2, 1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD); embeddingPot[ii] = ploc2; } for (int ii = 0; ii < N_INTERACTION_FAMILIES; ii++) { RealType ploc1 = excludedSelfPot[ii]; RealType ploc2 = 0.0; - MPI::COMM_WORLD.Allreduce(&ploc1, &ploc2, 1, MPI::REALTYPE, MPI::SUM); + MPI_Allreduce(&ploc1, &ploc2, 1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD); excludedSelfPot[ii] = ploc2; } #endif