--- trunk/src/utils/OpenMDBitSet.cpp 2012/10/03 14:07:28 1802 +++ trunk/src/utils/OpenMDBitSet.cpp 2014/02/26 14:14:50 1969 @@ -35,11 +35,15 @@ * * [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). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ +#ifdef IS_MPI +#include +#endif + #include #include #include @@ -47,9 +51,6 @@ #include "utils/OpenMDBitSet.hpp" #include "utils/Algorithm.hpp" -#ifdef IS_MPI -#include -#endif namespace OpenMD { int OpenMDBitSet::countBits() { @@ -209,8 +210,8 @@ namespace OpenMD { std::vector bsInt(bitset_.begin(), bitset_.end()); - MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &bsInt[0], - bsInt.size(), MPI::INT, MPI::LOR); + MPI_Allreduce(MPI_IN_PLACE, &bsInt[0], + bsInt.size(), MPI_INT, MPI_LOR, MPI_COMM_WORLD); std::transform(bsInt.begin(), bsInt.end(), std::back_inserter( result.bitset_ ), to_bool());