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root/OpenMD/trunk/src/brains/ForceManager.cpp
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Comparing trunk/src/brains/ForceManager.cpp (file contents):
Revision 1969 by gezelter, Wed Feb 26 14:14:50 2014 UTC vs.
Revision 1987 by gezelter, Thu Apr 17 19:07:31 2014 UTC

# Line 646 | Line 646 | namespace OpenMD {
646                    MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
647      MPI_Allreduce(MPI_IN_PLACE, &inversionPotential, 1,
648                    MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
649 –    // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &bondPotential, 1, MPI::REALTYPE,
650 –    //                           MPI::SUM);
651 –    // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &bendPotential, 1, MPI::REALTYPE,
652 –    //                           MPI::SUM);
653 –    // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &torsionPotential, 1,
654 –    //                           MPI::REALTYPE, MPI::SUM);
655 –    // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &inversionPotential, 1,
656 –    //                           MPI::REALTYPE, MPI::SUM);
649   #endif
650  
651      Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
# Line 987 | Line 979 | namespace OpenMD {
979      
980   #ifdef IS_MPI
981      MPI_Allreduce(MPI_IN_PLACE, stressTensor.getArrayPointer(), 9,
982 <      MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
991 <    // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, stressTensor.getArrayPointer(), 9,
992 <    //                           MPI::REALTYPE, MPI::SUM);
982 >                  MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
983   #endif
984      curSnapshot->setStressTensor(stressTensor);
985      

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