--- trunk/src/brains/ForceManager.cpp 2014/04/16 12:00:18 1986 +++ trunk/src/brains/ForceManager.cpp 2014/04/17 19:07:31 1987 @@ -646,14 +646,6 @@ namespace OpenMD { MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD); MPI_Allreduce(MPI_IN_PLACE, &inversionPotential, 1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD); - // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &bondPotential, 1, MPI::REALTYPE, - // MPI::SUM); - // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &bendPotential, 1, MPI::REALTYPE, - // MPI::SUM); - // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &torsionPotential, 1, - // MPI::REALTYPE, MPI::SUM); - // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &inversionPotential, 1, - // MPI::REALTYPE, MPI::SUM); #endif Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot(); @@ -987,9 +979,7 @@ namespace OpenMD { #ifdef IS_MPI MPI_Allreduce(MPI_IN_PLACE, stressTensor.getArrayPointer(), 9, - MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD); - // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, stressTensor.getArrayPointer(), 9, - // MPI::REALTYPE, MPI::SUM); + MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD); #endif curSnapshot->setStressTensor(stressTensor);