--- trunk/src/math/ParallelRandNumGen.cpp 2012/09/10 18:38:44 1796 +++ trunk/src/math/ParallelRandNumGen.cpp 2014/02/26 14:14:50 1969 @@ -35,16 +35,16 @@ * * [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). */ - -#include "math/ParallelRandNumGen.hpp" #ifdef IS_MPI #include #endif +#include "math/ParallelRandNumGen.hpp" + namespace OpenMD { int ParallelRandNumGen::nCreatedRNG_ = 0; @@ -55,7 +55,7 @@ namespace OpenMD { #ifdef IS_MPI const int masterNode = 0; - MPI::COMM_WORLD.Bcast(&seed, 1, MPI::UNSIGNED_LONG, masterNode); + MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); #endif if (seed != oneSeed) { @@ -67,8 +67,9 @@ namespace OpenMD { int nProcessors; #ifdef IS_MPI - nProcessors = MPI::COMM_WORLD.Get_size(); - myRank_ = MPI::COMM_WORLD.Get_rank(); + MPI_Comm_size( MPI_COMM_WORLD, &nProcessors); + MPI_Comm_rank( MPI_COMM_WORLD, &myRank_); + #else nProcessors = 1; myRank_ = 0; @@ -85,11 +86,10 @@ namespace OpenMD { ParallelRandNumGen::ParallelRandNumGen() { - std::vector bigSeed; int nProcessors; #ifdef IS_MPI - nProcessors = MPI::COMM_WORLD.Get_size(); - myRank_ = MPI::COMM_WORLD.Get_rank(); + MPI_Comm_size( MPI_COMM_WORLD, &nProcessors); + MPI_Comm_rank( MPI_COMM_WORLD, &myRank_); #else nProcessors = 1; myRank_ = 0; @@ -106,7 +106,7 @@ namespace OpenMD { unsigned long seed = oneSeed; #ifdef IS_MPI const int masterNode = 0; - MPI::COMM_WORLD.Bcast(&seed, 1, MPI::UNSIGNED_LONG, masterNode); + MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); #endif if (seed != oneSeed) { sprintf(painCave.errMsg, @@ -124,23 +124,25 @@ namespace OpenMD { void ParallelRandNumGen::seed() { std::vector bigSeed; - int size; #ifdef IS_MPI + int size; const int masterNode = 0; if (worldRank == masterNode) { #endif bigSeed = mtRand_->generateSeeds(); - size = bigSeed.size(); #ifdef IS_MPI - MPI::COMM_WORLD.Bcast(&size, 1, MPI::INT, masterNode); - MPI::COMM_WORLD.Bcast(&bigSeed[0], size, MPI::UNSIGNED_LONG, masterNode); + size = bigSeed.size(); + MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); + MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, + MPI_COMM_WORLD); }else { - MPI::COMM_WORLD.Bcast(&size, 1, MPI::INT, masterNode); + MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); bigSeed.resize(size); - MPI::COMM_WORLD.Bcast(&bigSeed[0], size, MPI::UNSIGNED_LONG, masterNode); + MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, + MPI_COMM_WORLD); } #endif