| 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). |
| 39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
| 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" |
| 51 |
|
|
| 52 |
|
ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) { |
| 53 |
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|
| 53 |
– |
const int masterNode = 0; |
| 54 |
|
unsigned long seed = oneSeed; |
| 55 |
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|
| 56 |
|
#ifdef IS_MPI |
| 57 |
+ |
const int masterNode = 0; |
| 58 |
|
MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); |
| 59 |
|
#endif |
| 60 |
|
|
| 86 |
|
ParallelRandNumGen::ParallelRandNumGen() { |
| 87 |
|
|
| 88 |
|
std::vector<uint32> bigSeed; |
| 88 |
– |
const int masterNode = 0; |
| 89 |
|
int nProcessors; |
| 90 |
|
#ifdef IS_MPI |
| 91 |
+ |
const int masterNode = 0; |
| 92 |
|
MPI_Comm_size( MPI_COMM_WORLD, &nProcessors); |
| 93 |
|
MPI_Comm_rank( MPI_COMM_WORLD, &myRank_); |
| 94 |
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#else |
| 104 |
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|
| 105 |
|
void ParallelRandNumGen::seed( const uint32 oneSeed ) { |
| 106 |
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|
| 106 |
– |
const int masterNode = 0; |
| 107 |
|
unsigned long seed = oneSeed; |
| 108 |
|
#ifdef IS_MPI |
| 109 |
+ |
const int masterNode = 0; |
| 110 |
|
MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); |
| 111 |
|
#endif |
| 112 |
|
if (seed != oneSeed) { |
| 126 |
|
|
| 127 |
|
std::vector<uint32> bigSeed; |
| 128 |
|
int size; |
| 129 |
< |
const int masterNode = 0; |
| 129 |
> |
|
| 130 |
|
#ifdef IS_MPI |
| 131 |
+ |
const int masterNode = 0; |
| 132 |
|
if (worldRank == masterNode) { |
| 133 |
|
#endif |
| 134 |
|
|