--- trunk/src/io/ZConsWriter.cpp 2014/02/20 16:27:30 1968 +++ trunk/src/io/ZConsWriter.cpp 2014/02/26 14:14:50 1969 @@ -99,19 +99,23 @@ namespace OpenMD { output_ << i->mol->getGlobalIndex() <<"\t" << i->fz << "\t" << i->zpos << "\t" << i->param.zTargetPos < tmpNFixedZmols(nproc, 0); std::vector nFixedZmolsInProc(nproc, 0); tmpNFixedZmols[myNode] = fixedZmols.size(); //do MPI_ALLREDUCE to exchange the total number of atoms, //rigidbodies and cutoff groups - MPI::COMM_WORLD.Allreduce(&tmpNFixedZmols[0], &nFixedZmolsInProc[0], - nproc, MPI::INT, MPI::SUM); + MPI_Allreduce(&tmpNFixedZmols[0], &nFixedZmolsInProc[0], + nproc, MPI_INT, MPI_SUM, MPI_COMM_WORLD); - MPI::Status ierr; + MPI_Status* ierr; int zmolIndex; RealType data[3]; @@ -132,8 +136,8 @@ namespace OpenMD { } else { for(int k =0 ; k < nFixedZmolsInProc[i]; ++k) { - MPI::COMM_WORLD.Recv(&zmolIndex, 1, MPI::INT, i, 0, ierr); - MPI::COMM_WORLD.Recv(data, 3, MPI::REALTYPE, i, 0, ierr); + MPI_Recv(&zmolIndex, 1, MPI_INT, i, 0, MPI_COMM_WORLD, ierr); + MPI_Recv(data, 3, MPI_REALTYPE, i, 0, MPI_COMM_WORLD, ierr); tmpData.zmolIndex = zmolIndex; tmpData.zforce= data[0]; tmpData.zpos = data[1]; @@ -161,8 +165,8 @@ namespace OpenMD { data[0] = j->fz; data[1] = j->zpos; data[2] = j->param.zTargetPos; - MPI::COMM_WORLD.Send(&zmolIndex, 1, MPI::INT, masterNode, 0); - MPI::COMM_WORLD.Send(data, 3, MPI::REALTYPE, masterNode, 0); + MPI_Send(&zmolIndex, 1, MPI_INT, masterNode, 0, MPI_COMM_WORLD); + MPI_Send(data, 3, MPI_REALTYPE, masterNode, 0, MPI_COMM_WORLD); } }