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1 | + | /* |
2 | + | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
3 | + | * |
4 | + | * The University of Notre Dame grants you ("Licensee") a |
5 | + | * non-exclusive, royalty free, license to use, modify and |
6 | + | * redistribute this software in source and binary code form, provided |
7 | + | * that the following conditions are met: |
8 | + | * |
9 | + | * 1. Acknowledgement of the program authors must be made in any |
10 | + | * publication of scientific results based in part on use of the |
11 | + | * program. An acceptable form of acknowledgement is citation of |
12 | + | * the article in which the program was described (Matthew |
13 | + | * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
14 | + | * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
15 | + | * Parallel Simulation Engine for Molecular Dynamics," |
16 | + | * J. Comput. Chem. 26, pp. 252-271 (2005)) |
17 | + | * |
18 | + | * 2. Redistributions of source code must retain the above copyright |
19 | + | * notice, this list of conditions and the following disclaimer. |
20 | + | * |
21 | + | * 3. Redistributions in binary form must reproduce the above copyright |
22 | + | * notice, this list of conditions and the following disclaimer in the |
23 | + | * documentation and/or other materials provided with the |
24 | + | * distribution. |
25 | + | * |
26 | + | * This software is provided "AS IS," without a warranty of any |
27 | + | * kind. All express or implied conditions, representations and |
28 | + | * warranties, including any implied warranty of merchantability, |
29 | + | * fitness for a particular purpose or non-infringement, are hereby |
30 | + | * excluded. The University of Notre Dame and its licensors shall not |
31 | + | * be liable for any damages suffered by licensee as a result of |
32 | + | * using, modifying or distributing the software or its |
33 | + | * derivatives. In no event will the University of Notre Dame or its |
34 | + | * licensors be liable for any lost revenue, profit or data, or for |
35 | + | * direct, indirect, special, consequential, incidental or punitive |
36 | + | * damages, however caused and regardless of the theory of liability, |
37 | + | * arising out of the use of or inability to use software, even if the |
38 | + | * University of Notre Dame has been advised of the possibility of |
39 | + | * such damages. |
40 | + | */ |
41 | + | |
42 | #include <iostream> | |
43 | #include <math.h> | |
44 | ||
45 | < | #include "randomSPRNG.hpp" |
46 | < | #include "simError.h" |
45 | > | #include "math/randomSPRNG.hpp" |
46 | > | #include "utils/simError.h" |
47 | #include <sprng.h> | |
48 | ||
49 | #ifdef IS_MPI | |
50 | < | #include "mpiSimulation.hpp" |
50 | > | |
51 | > | #include <mpi.h> |
52 | #endif | |
53 | ||
12 | – | using namespace std; |
54 | ||
55 | + | |
56 | /* randomStreamSPRNF creates a new SPRNG stream for random numbers | |
57 | */ | |
58 | ||
59 | int randomSPRNG::nStreamsInitialized = 0; | |
60 | ||
61 | < | randomSPRNG::randomSPRNG(int iseed){ |
62 | < | int newSeed; |
63 | < | nStreamsInitialized++; |
64 | < | newSeed = abs(iseed) + nStreamsInitialized; |
23 | < | if( newSeed < 0 ) newSeed = abs( newSeed ); |
61 | > | randomSPRNG::randomSPRNG( int iseed ) { |
62 | > | int newSeed; |
63 | > | nStreamsInitialized++; |
64 | > | newSeed = abs(iseed) + nStreamsInitialized; |
65 | ||
66 | + | if (newSeed < 0) |
67 | + | newSeed = abs(newSeed); |
68 | + | |
69 | #ifdef IS_MPI | |
70 | ||
71 | < | nSPRNGStreams = mpiSim->getNProcessors(); |
72 | < | |
73 | < | myStreamNumber = mpiSim->getMyNode(); |
71 | > | //random number generator should not depend on MpiSimulation |
72 | > | MPI_Comm_size(MPI_COMM_WORLD, &nSPRNGStreams); |
73 | > | myStreamNumber = worldRank; |
74 | ||
31 | – | |
32 | – | |
75 | #else | |
76 | ||
77 | < | nSPRNGStreams = 1; |
78 | < | myStreamNumber = 0; |
77 | > | nSPRNGStreams = 1; |
78 | > | myStreamNumber = 0; |
79 | ||
80 | #endif | |
81 | ||
82 | < | |
83 | < | thisStream = init_sprng(GTYPE,myStreamNumber,nSPRNGStreams, |
42 | < | newSeed,SPRNG_DEFAULT); |
82 | > | thisStream = init_sprng(GTYPE, myStreamNumber, nSPRNGStreams, newSeed, |
83 | > | SPRNG_DEFAULT); |
84 | } | |
85 | ||
86 | < | randomSPRNG::~randomSPRNG(){ |
87 | < | if ( thisStream != NULL){ |
88 | < | free_sprng(thisStream); |
89 | < | nStreamsInitialized--; |
90 | < | } |
86 | > | randomSPRNG::~randomSPRNG() { |
87 | > | if (thisStream != NULL) { |
88 | > | free_sprng(thisStream); |
89 | > | nStreamsInitialized--; |
90 | > | } |
91 | } | |
92 | ||
93 | + | double randomSPRNG::getRandom() { return sprng(thisStream); } |
94 | ||
53 | – | double randomSPRNG::getRandom(){ |
54 | – | return sprng(thisStream); |
55 | – | } |
56 | – | |
57 | – | |
95 | // Gaussian SPRNG class... | |
96 | ||
97 | < | double gaussianSPRNG::getGaussian(){ |
98 | < | double ranNum1; |
99 | < | double ranNum2; |
100 | < | double gaussianNumber; |
97 | > | double gaussianSPRNG::getGaussian() { |
98 | > | double ranNum1; |
99 | > | double ranNum2; |
100 | > | double gaussianNumber; |
101 | ||
102 | < | ranNum1 = getRandom(); |
103 | < | ranNum2 = getRandom(); |
102 | > | ranNum1 = getRandom(); |
103 | > | ranNum2 = getRandom(); |
104 | ||
105 | < | gaussianNumber = sqrt(-2.0 * log(ranNum1)) * cos(2 * M_PI * ranNum2); |
105 | > | gaussianNumber = sqrt(-2.0 * log(ranNum1)) * cos(2 * M_PI * ranNum2); |
106 | ||
107 | < | return gaussianNumber; |
107 | > | return gaussianNumber; |
108 | } |
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