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 |
|
|
53 |
– |
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 |
|
|
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 |
|
#else |
104 |
|
|
105 |
|
void ParallelRandNumGen::seed( const uint32 oneSeed ) { |
106 |
|
|
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 |
|
|