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

Comparing trunk/src/math/ParallelRandNumGen.cpp (file contents):
Revision 1241 by gezelter, Fri Apr 25 15:14:47 2008 UTC vs.
Revision 1796 by gezelter, Mon Sep 10 18:38:44 2012 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]  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"
#	Line 44 | Line 45
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
54	<	const int masterNode = 0;
55	<	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);
57	>	const int masterNode = 0;
58	>	MPI::COMM_WORLD.Bcast(&seed, 1, MPI::UNSIGNED_LONG, masterNode);
59		#endif
60	+
61		if (seed != oneSeed) {
62		sprintf(painCave.errMsg,
63		"Using different seed to initialize ParallelRandNumGen.\n");
#	Line 64 | Line 67 | namespace oopse {
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 74 | Line 77 | namespace oopse {
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	<	int newSeed = oneSeed + nCreatedRNG_;
80	>	unsigned long newSeed = oneSeed + nCreatedRNG_;
81		mtRand_ = new MTRand(newSeed, nProcessors, myRank_);
82
83		++nCreatedRNG_;
#	Line 83 | Line 86 | namespace oopse {
86		ParallelRandNumGen::ParallelRandNumGen() {
87
88		std::vector<uint32> bigSeed;
86	–	const int masterNode = 0;
89		int nProcessors;
90		#ifdef IS_MPI
91	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
92	<	MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
91	>	nProcessors = MPI::COMM_WORLD.Get_size();
92	>	myRank_ = MPI::COMM_WORLD.Get_rank();
93		#else
94		nProcessors = 1;
95		myRank_ = 0;
#	Line 101 | Line 103 | namespace oopse {
103
104		void ParallelRandNumGen::seed( const uint32 oneSeed ) {
105
106	<	const int masterNode = 0;
105	<	int seed = oneSeed;
106	>	unsigned long seed = oneSeed;
107		#ifdef IS_MPI
108	<	MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
108	>	const int masterNode = 0;
109	>	MPI::COMM_WORLD.Bcast(&seed, 1, MPI::UNSIGNED_LONG, masterNode);
110		#endif
111		if (seed != oneSeed) {
112		sprintf(painCave.errMsg,
#	Line 113 | Line 115 | namespace oopse {
115		simError();
116		}
117
118	<	int newSeed = oneSeed +nCreatedRNG_;
118	>	unsigned long newSeed = oneSeed +nCreatedRNG_;
119		mtRand_->seed(newSeed);
120
121		++nCreatedRNG_;
#	Line 123 | Line 125 | namespace oopse {
125
126		std::vector<uint32> bigSeed;
127		int size;
128	<	const int masterNode = 0;
128	>
129		#ifdef IS_MPI
130	+	const int masterNode = 0;
131		if (worldRank == masterNode) {
132		#endif
133
#	Line 132 | Line 135 | namespace oopse {
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);
138	>	MPI::COMM_WORLD.Bcast(&size, 1, MPI::INT, masterNode);
139	>	MPI::COMM_WORLD.Bcast(&bigSeed[0], size, MPI::UNSIGNED_LONG, masterNode);
140		}else {
141	<	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
141	>	MPI::COMM_WORLD.Bcast(&size, 1, MPI::INT, masterNode);
142		bigSeed.resize(size);
143	<	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
143	>	MPI::COMM_WORLD.Bcast(&bigSeed[0], size, MPI::UNSIGNED_LONG, masterNode);
144		}
145		#endif
146

Comparing trunk/src/math/ParallelRandNumGen.cpp (property svn:keywords):
Revision 1241 by gezelter, Fri Apr 25 15:14:47 2008 UTC vs.
Revision 1796 by gezelter, Mon Sep 10 18:38:44 2012 UTC

#	Line 0 | Line 1
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