--- branches/development/src/parallel/Communicator.hpp 2011/08/04 20:04:35 1601 +++ trunk/src/parallel/Communicator.hpp 2012/09/10 18:38:44 1796 @@ -43,7 +43,8 @@ * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). - * [4] Vardeman & Gezelter, in progress (2009). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ #ifndef PARALLEL_COMMUNICATOR_HPP @@ -71,8 +72,8 @@ namespace OpenMD{ static int Length() { return 1; }; }; - template<> inline MPI::Datatype MPITraits::Type() { return MPI_INT; } - template<> inline MPI::Datatype MPITraits::Type() { return MPI_REALTYPE; } + template<> inline MPI::Datatype MPITraits::Type() { return MPI::INT; } + template<> inline MPI::Datatype MPITraits::Type() { return MPI::REALTYPE; } template class MPITraits< Vector > { @@ -119,7 +120,6 @@ namespace OpenMD{ if (nProc % i == 0) nColumns = i; } - int nRows = nProc / nColumns; rowIndex_ = myRank / nColumns; columnIndex_ = myRank % nColumns;