| 35 |
|
* |
| 36 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 42 |
– |
|
| 43 |
– |
#include "math/ParallelRandNumGen.hpp" |
| 42 |
|
#ifdef IS_MPI |
| 43 |
|
#include <mpi.h> |
| 44 |
|
#endif |
| 45 |
|
|
| 46 |
+ |
#include "math/ParallelRandNumGen.hpp" |
| 47 |
+ |
|
| 48 |
|
namespace OpenMD { |
| 49 |
|
|
| 50 |
|
int ParallelRandNumGen::nCreatedRNG_ = 0; |
| 51 |
|
|
| 52 |
|
ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) { |
| 53 |
|
|
| 54 |
– |
const int masterNode = 0; |
| 54 |
|
unsigned long seed = oneSeed; |
| 55 |
|
|
| 56 |
|
#ifdef IS_MPI |
| 57 |
+ |
const int masterNode = 0; |
| 58 |
|
MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); |
| 59 |
|
#endif |
| 60 |
|
|
| 69 |
|
#ifdef IS_MPI |
| 70 |
|
MPI_Comm_size( MPI_COMM_WORLD, &nProcessors); |
| 71 |
|
MPI_Comm_rank( MPI_COMM_WORLD, &myRank_); |
| 72 |
+ |
|
| 73 |
|
#else |
| 74 |
|
nProcessors = 1; |
| 75 |
|
myRank_ = 0; |
| 86 |
|
|
| 87 |
|
ParallelRandNumGen::ParallelRandNumGen() { |
| 88 |
|
|
| 88 |
– |
std::vector<uint32> bigSeed; |
| 89 |
– |
const int masterNode = 0; |
| 89 |
|
int nProcessors; |
| 90 |
|
#ifdef IS_MPI |
| 91 |
|
MPI_Comm_size( MPI_COMM_WORLD, &nProcessors); |
| 103 |
|
|
| 104 |
|
void ParallelRandNumGen::seed( const uint32 oneSeed ) { |
| 105 |
|
|
| 107 |
– |
const int masterNode = 0; |
| 106 |
|
unsigned long seed = oneSeed; |
| 107 |
|
#ifdef IS_MPI |
| 108 |
+ |
const int masterNode = 0; |
| 109 |
|
MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); |
| 110 |
|
#endif |
| 111 |
|
if (seed != oneSeed) { |
| 124 |
|
void ParallelRandNumGen::seed() { |
| 125 |
|
|
| 126 |
|
std::vector<uint32> bigSeed; |
| 127 |
+ |
|
| 128 |
+ |
#ifdef IS_MPI |
| 129 |
|
int size; |
| 130 |
|
const int masterNode = 0; |
| 130 |
– |
#ifdef IS_MPI |
| 131 |
|
if (worldRank == masterNode) { |
| 132 |
|
#endif |
| 133 |
|
|
| 134 |
|
bigSeed = mtRand_->generateSeeds(); |
| 135 |
– |
size = bigSeed.size(); |
| 135 |
|
|
| 136 |
|
#ifdef IS_MPI |
| 137 |
< |
MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
| 138 |
< |
MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); |
| 137 |
> |
size = bigSeed.size(); |
| 138 |
> |
MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
| 139 |
> |
MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, |
| 140 |
> |
MPI_COMM_WORLD); |
| 141 |
|
}else { |
| 142 |
< |
MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
| 142 |
> |
MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
| 143 |
|
bigSeed.resize(size); |
| 144 |
< |
MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); |
| 144 |
> |
MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, |
| 145 |
> |
MPI_COMM_WORLD); |
| 146 |
|
} |
| 147 |
|
#endif |
| 148 |
|
|