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root/OpenMD/trunk/src/math/ParallelRandNumGen.cpp
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Comparing trunk/src/math/ParallelRandNumGen.cpp (file contents):
Revision 1793 by gezelter, Fri Aug 31 21:16:10 2012 UTC vs.
Revision 1938 by gezelter, Thu Oct 31 15:32:17 2013 UTC

# Line 35 | Line 35
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;
# Line 55 | Line 55 | namespace OpenMD {
55  
56   #ifdef IS_MPI
57      const int masterNode = 0;
58 <    MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
58 >    MPI::COMM_WORLD.Bcast(&seed, 1, MPI::UNSIGNED_LONG, masterNode);
59   #endif
60  
61      if (seed != oneSeed) {
# Line 67 | Line 67 | namespace OpenMD {
67  
68      int nProcessors;
69   #ifdef IS_MPI
70 <    MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
71 <    MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
70 >    nProcessors = MPI::COMM_WORLD.Get_size();
71 >    myRank_ = MPI::COMM_WORLD.Get_rank();
72   #else
73      nProcessors = 1;
74      myRank_ = 0;
# Line 85 | Line 85 | namespace OpenMD {
85  
86    ParallelRandNumGen::ParallelRandNumGen() {
87  
88 –    std::vector<uint32> bigSeed;
88      int nProcessors;
89   #ifdef IS_MPI
90 <    const int masterNode = 0;
91 <    MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
93 <    MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
90 >    nProcessors = MPI::COMM_WORLD.Get_size();
91 >    myRank_ = MPI::COMM_WORLD.Get_rank();
92   #else
93      nProcessors = 1;
94      myRank_ = 0;
# Line 107 | Line 105 | namespace OpenMD {
105      unsigned long seed = oneSeed;
106   #ifdef IS_MPI
107      const int masterNode = 0;
108 <    MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
108 >    MPI::COMM_WORLD.Bcast(&seed, 1, MPI::UNSIGNED_LONG, masterNode);
109   #endif
110      if (seed != oneSeed) {
111        sprintf(painCave.errMsg,
# Line 125 | Line 123 | namespace OpenMD {
123    void ParallelRandNumGen::seed() {
124  
125      std::vector<uint32> bigSeed;
128 –    int size;
126  
127   #ifdef IS_MPI
128 +    int size;
129      const int masterNode = 0;
130      if (worldRank == masterNode) {
131   #endif
132  
133        bigSeed = mtRand_->generateSeeds();
136 –      size = bigSeed.size();
134  
135   #ifdef IS_MPI
136 <      MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);        
137 <      MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
136 >      size = bigSeed.size();
137 >      MPI::COMM_WORLD.Bcast(&size, 1, MPI::INT, masterNode);
138 >      MPI::COMM_WORLD.Bcast(&bigSeed[0], size, MPI::UNSIGNED_LONG, masterNode);
139      }else {
140 <      MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);        
140 >      MPI::COMM_WORLD.Bcast(&size, 1, MPI::INT, masterNode);
141        bigSeed.resize(size);
142 <      MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
142 >      MPI::COMM_WORLD.Bcast(&bigSeed[0], size, MPI::UNSIGNED_LONG, masterNode);
143      }
144   #endif
145      

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