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 |
|
|
47 |
|
#include <sprng.h> |
48 |
|
|
49 |
|
#ifdef IS_MPI |
50 |
< |
#include "brains/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 |
|
} |