# | Line 36 | Line 36 | |
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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" | |
# | Line 50 | Line 51 | namespace OpenMD { | |
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 | ||
# | Line 85 | Line 86 | namespace OpenMD { | |
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 | |
# | Line 103 | Line 104 | namespace OpenMD { | |
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) { | |
# | Line 125 | Line 126 | namespace OpenMD { | |
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 |
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