--- trunk/src/math/ParallelRandNumGen.cpp 2009/11/25 20:02:06 1390 +++ trunk/src/math/ParallelRandNumGen.cpp 2014/02/26 14:14:50 1969 @@ -35,25 +35,26 @@ * * [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). + * [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; ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) { - const int masterNode = 0; unsigned long seed = oneSeed; #ifdef IS_MPI + const int masterNode = 0; MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); #endif @@ -68,6 +69,7 @@ namespace OpenMD { #ifdef IS_MPI MPI_Comm_size( MPI_COMM_WORLD, &nProcessors); MPI_Comm_rank( MPI_COMM_WORLD, &myRank_); + #else nProcessors = 1; myRank_ = 0; @@ -84,8 +86,6 @@ namespace OpenMD { ParallelRandNumGen::ParallelRandNumGen() { - std::vector bigSeed; - const int masterNode = 0; int nProcessors; #ifdef IS_MPI MPI_Comm_size( MPI_COMM_WORLD, &nProcessors); @@ -103,9 +103,9 @@ namespace OpenMD { void ParallelRandNumGen::seed( const uint32 oneSeed ) { - const int masterNode = 0; unsigned long seed = oneSeed; #ifdef IS_MPI + const int masterNode = 0; MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); #endif if (seed != oneSeed) { @@ -124,22 +124,25 @@ namespace OpenMD { void ParallelRandNumGen::seed() { std::vector bigSeed; + +#ifdef IS_MPI int size; const int masterNode = 0; -#ifdef IS_MPI if (worldRank == masterNode) { #endif bigSeed = mtRand_->generateSeeds(); - size = bigSeed.size(); #ifdef IS_MPI - MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); - MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); + 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_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); + MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); bigSeed.resize(size); - MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); + MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, + MPI_COMM_WORLD); } #endif