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root/OpenMD/branches/development/src/math/ParallelRandNumGen.cpp

Comparing:
trunk/src/math/ParallelRandNumGen.cpp (file contents), Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
branches/development/src/math/ParallelRandNumGen.cpp (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

#	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]  Vardeman & Gezelter, in progress (2009).
40		*/
41
42		#include "math/ParallelRandNumGen.hpp"
43		#ifdef IS_MPI
44		#include <mpi.h>
45	+	#endif
46
47	<	namespace oopse {
47	>	namespace OpenMD {
48
48	–
49	–
49		int ParallelRandNumGen::nCreatedRNG_ = 0;
50
51	<	ParallelRandNumGen::ParallelRandNumGen( const uint32& oneSeed) {
51	>	ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {
52
53		const int masterNode = 0;
54	<	int seed = oneSeed;
54	>	unsigned long seed = oneSeed;
55	>
56	>	#ifdef IS_MPI
57		MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
58	+	#endif
59
60		if (seed != oneSeed) {
61		sprintf(painCave.errMsg,
#	Line 63 | Line 65 | namespace oopse {
65		}
66
67		int nProcessors;
68	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
68	>	#ifdef IS_MPI
69	>	MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
70		MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
71	<	//In order to generate independent random number stream, the actual seed used by random
72	<	//number generator is the seed passed to the constructor plus the number of random number
73	<	//generators which are already created.
74	<	int newSeed = oneSeed + nCreatedRNG_;
71	>	#else
72	>	nProcessors = 1;
73	>	myRank_ = 0;
74	>	#endif
75	>	//In order to generate independent random number stream, the
76	>	//actual seed used by random number generator is the seed passed
77	>	//to the constructor plus the number of random number generators
78	>	//which are already created.
79	>	unsigned long newSeed = oneSeed + nCreatedRNG_;
80		mtRand_ = new MTRand(newSeed, nProcessors, myRank_);
81	<
81	>
82		++nCreatedRNG_;
83		}
84
#	Line 79 | Line 87 | namespace oopse {
87		std::vector<uint32> bigSeed;
88		const int masterNode = 0;
89		int nProcessors;
90	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
90	>	#ifdef IS_MPI
91	>	MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
92		MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
93	+	#else
94	+	nProcessors = 1;
95	+	myRank_ = 0;
96	+	#endif
97		mtRand_ = new MTRand(nProcessors, myRank_);
98
99	<	seed();       /** @todo calling virtual function in constructor is not a good design */
99	>	seed();       /** @todo calling virtual function in constructor is
100	>	not a good design */
101		}
102
103
104		void ParallelRandNumGen::seed( const uint32 oneSeed ) {
105
106		const int masterNode = 0;
107	<	int seed = oneSeed;
107	>	unsigned long seed = oneSeed;
108	>	#ifdef IS_MPI
109		MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
110	<
110	>	#endif
111		if (seed != oneSeed) {
112		sprintf(painCave.errMsg,
113		"Using different seed to initialize ParallelRandNumGen.\n");
114		painCave.isFatal = 1;;
115		simError();
116		}
117	<
118	<	int newSeed = oneSeed +nCreatedRNG_;
117	>
118	>	unsigned long newSeed = oneSeed +nCreatedRNG_;
119		mtRand_->seed(newSeed);
120	<
120	>
121		++nCreatedRNG_;
122		}
123
#	Line 111 | Line 126 | namespace oopse {
126		std::vector<uint32> bigSeed;
127		int size;
128		const int masterNode = 0;
129	+	#ifdef IS_MPI
130		if (worldRank == masterNode) {
131	+	#endif
132	+
133		bigSeed = mtRand_->generateSeeds();
134		size = bigSeed.size();
135	+
136	+	#ifdef IS_MPI
137		MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
138		MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
119	–
139		}else {
140		MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
141		bigSeed.resize(size);
142		MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
143		}
144	+	#endif
145
146		if (bigSeed.size() == 1) {
147		mtRand_->seed(bigSeed[0]);
#	Line 130 | Line 150 | namespace oopse {
150		}
151
152		++nCreatedRNG_;
153	<	}
134	<
135	<
153	>	}
154		}
137	–
138	–	#endif

Comparing:
trunk/src/math/ParallelRandNumGen.cpp (property svn:keywords), Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
branches/development/src/math/ParallelRandNumGen.cpp (property svn:keywords), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

#	Line 0 | Line 1
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