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root/OpenMD/trunk/src/math/ParallelRandNumGen.cpp

Comparing trunk/src/math/ParallelRandNumGen.cpp (file contents):
Revision 398 by tim, Mon Mar 7 22:39:33 2005 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

#	Line 1 | Line 1
1	<	/*
1	>	/*
2		* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
#	Line 6 | Line 6
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
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13		*    notice, this list of conditions and the following disclaimer in the
14		*    documentation and/or other materials provided with the
15		*    distribution.
#	Line 37 | Line 28
28		* arising out of the use of or inability to use software, even if the
29		* University of Notre Dame has been advised of the possibility of
30		* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
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).
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"
44		#ifdef IS_MPI
45		#include <mpi.h>
46	+	#endif
47
48	<	namespace oopse {
48	>	namespace OpenMD {
49
50	+	int ParallelRandNumGen::nCreatedRNG_ = 0;
51
52	+	ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {
53
50	–	int ParallelRandNumGen::nCreatedRNG_ = 0;
51	–
52	–	ParallelRandNumGen::ParallelRandNumGen( const uint32& oneSeed) {
53	–
54		const int masterNode = 0;
55	<	int seed = oneSeed;
55	>	unsigned long seed = oneSeed;
56	>
57	>	#ifdef IS_MPI
58		MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
59	+	#endif
60
61		if (seed != oneSeed) {
62	<	sprintf(painCave.errMsg,
63	<	"Using different seed to initialize ParallelRandNumGen.\n");
64	<	painCave.isFatal = 1;;
65	<	simError();
62	>	sprintf(painCave.errMsg,
63	>	"Using different seed to initialize ParallelRandNumGen.\n");
64	>	painCave.isFatal = 1;;
65	>	simError();
66		}
67
68		int nProcessors;
69	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
69	>	#ifdef IS_MPI
70	>	MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
71		MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
72	<	//In order to generate independent random number stream, the actual seed used by random
73	<	//number generator is the seed passed to the constructor plus the number of random number
74	<	//generators which are already created.
75	<	int newSeed = oneSeed + nCreatedRNG_;
72	>	#else
73	>	nProcessors = 1;
74	>	myRank_ = 0;
75	>	#endif
76	>	//In order to generate independent random number stream, the
77	>	//actual seed used by random number generator is the seed passed
78	>	//to the constructor plus the number of random number generators
79	>	//which are already created.
80	>	unsigned long newSeed = oneSeed + nCreatedRNG_;
81		mtRand_ = new MTRand(newSeed, nProcessors, myRank_);
82	<
82	>
83		++nCreatedRNG_;
84	<	}
84	>	}
85
86	<	ParallelRandNumGen::ParallelRandNumGen() {
86	>	ParallelRandNumGen::ParallelRandNumGen() {
87
88		std::vector<uint32> bigSeed;
89		const int masterNode = 0;
90		int nProcessors;
91	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
91	>	#ifdef IS_MPI
92	>	MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
93		MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
94	+	#else
95	+	nProcessors = 1;
96	+	myRank_ = 0;
97	+	#endif
98		mtRand_ = new MTRand(nProcessors, myRank_);
99
100	<	seed();       /** @todo calling virtual function in constructor is not a good design */
101	<	}
100	>	seed();       /** @todo calling virtual function in constructor is
101	>	not a good design */
102	>	}
103
104
105	<	void ParallelRandNumGen::seed( const uint32 oneSeed ) {
105	>	void ParallelRandNumGen::seed( const uint32 oneSeed ) {
106
107		const int masterNode = 0;
108	<	int seed = oneSeed;
108	>	unsigned long seed = oneSeed;
109	>	#ifdef IS_MPI
110		MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
111	<
111	>	#endif
112		if (seed != oneSeed) {
113	<	sprintf(painCave.errMsg,
114	<	"Using different seed to initialize ParallelRandNumGen.\n");
115	<	painCave.isFatal = 1;;
116	<	simError();
113	>	sprintf(painCave.errMsg,
114	>	"Using different seed to initialize ParallelRandNumGen.\n");
115	>	painCave.isFatal = 1;;
116	>	simError();
117		}
118	<
119	<	int newSeed = oneSeed +nCreatedRNG_;
118	>
119	>	unsigned long newSeed = oneSeed +nCreatedRNG_;
120		mtRand_->seed(newSeed);
121	<
121	>
122		++nCreatedRNG_;
123	<	}
123	>	}
124
125	<	void ParallelRandNumGen::seed() {
125	>	void ParallelRandNumGen::seed() {
126
127		std::vector<uint32> bigSeed;
128		int size;
129		const int masterNode = 0;
130	+	#ifdef IS_MPI
131		if (worldRank == masterNode) {
132	<	bigSeed = mtRand_->generateSeeds();
116	<	size = bigSeed.size();
117	<	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
118	<	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
132	>	#endif
133
134	+	bigSeed = mtRand_->generateSeeds();
135	+	size = bigSeed.size();
136	+
137	+	#ifdef IS_MPI
138	+	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
139	+	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
140		}else {
141	<	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
142	<	bigSeed.resize(size);
143	<	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
141	>	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
142	>	bigSeed.resize(size);
143	>	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
144		}
145	+	#endif
146
147		if (bigSeed.size() == 1) {
148	<	mtRand_->seed(bigSeed[0]);
148	>	mtRand_->seed(bigSeed[0]);
149		} else {
150	<	mtRand_->seed(&bigSeed[0], bigSeed.size());
150	>	mtRand_->seed(&bigSeed[0], bigSeed.size());
151		}
152
153		++nCreatedRNG_;
154	<	}
134	<
135	<
154	>	}
155		}
137	–
138	–	#endif

Comparing trunk/src/math/ParallelRandNumGen.cpp (property svn:keywords):
Revision 398 by tim, Mon Mar 7 22:39:33 2005 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

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