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root/OpenMD/branches/development/src/io/DumpWriter.cpp

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trunk/src/io/DumpWriter.cpp (file contents), Revision 3 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
branches/development/src/io/DumpWriter.cpp (file contents), Revision 1764 by gezelter, Tue Jul 3 18:32:27 2012 UTC

#	Line 1 | Line 1
1	<	#define _LARGEFILE_SOURCE64
2	<	#define _FILE_OFFSET_BITS 64
1	>	/*
2	>	* Copyright (c) 2009 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. Redistributions of source code must retain the above copyright
10	>	*    notice, this list of conditions and the following disclaimer.
11	>	*
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.
16	>	*
17	>	* This software is provided "AS IS," without a warranty of any
18	>	* kind. All express or implied conditions, representations and
19	>	* warranties, including any implied warranty of merchantability,
20	>	* fitness for a particular purpose or non-infringement, are hereby
21	>	* excluded.  The University of Notre Dame and its licensors shall not
22	>	* be liable for any damages suffered by licensee as a result of
23	>	* using, modifying or distributing the software or its
24	>	* derivatives. In no event will the University of Notre Dame or its
25	>	* licensors be liable for any lost revenue, profit or data, or for
26	>	* direct, indirect, special, consequential, incidental or punitive
27	>	* damages, however caused and regardless of the theory of liability,
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 "io/DumpWriter.hpp"
44	>	#include "primitives/Molecule.hpp"
45	>	#include "utils/simError.h"
46	>	#include "io/basic_teebuf.hpp"
47	>	#include "io/gzstream.hpp"
48	>	#include "io/Globals.hpp"
49
4	–	#include <string.h>
5	–	#include <iostream>
6	–	#include <fstream>
7	–	#include <algorithm>
8	–	#include <utility>
50
51		#ifdef IS_MPI
52		#include <mpi.h>
53	<	#include "brains/mpiSimulation.hpp"
53	>	#endif
54
55	<	namespace dWrite{
56	<	void DieDieDie( void );
16	<	}
55	>	using namespace std;
56	>	namespace OpenMD {
57
58	<	using namespace dWrite;
59	<	#endif //is_mpi
58	>	DumpWriter::DumpWriter(SimInfo* info)
59	>	: info_(info), filename_(info->getDumpFileName()), eorFilename_(info->getFinalConfigFileName()){
60
61	<	#include "io/ReadWrite.hpp"
62	<	#include "utils/simError.h"
61	>	Globals* simParams = info->getSimParams();
62	>	needCompression_   = simParams->getCompressDumpFile();
63	>	needForceVector_   = simParams->getOutputForceVector();
64	>	needParticlePot_   = simParams->getOutputParticlePotential();
65	>	needFlucQ_         = simParams->getOutputFluctuatingCharges();
66	>	needElectricField_ = simParams->getOutputElectricField();
67
68	<	DumpWriter::DumpWriter( SimInfo* the_entry_plug ){
68	>	if (needParticlePot_ || needFlucQ_ || needElectricField_) {
69	>	doSiteData_ = true;
70	>	} else {
71	>	doSiteData_ = false;
72	>	}
73
74	<	entry_plug = the_entry_plug;
75	<
74	>	createDumpFile_ = true;
75	>	#ifdef HAVE_LIBZ
76	>	if (needCompression_) {
77	>	filename_ += ".gz";
78	>	eorFilename_ += ".gz";
79	>	}
80	>	#endif
81	>
82		#ifdef IS_MPI
83	<	if(worldRank == 0 ){
83	>
84	>	if (worldRank == 0) {
85		#endif // is_mpi
86	+
87	+	dumpFile_ = createOStream(filename_);
88
89	<	dumpFile.open(entry_plug->sampleName.c_str(), ios::out | ios::trunc );
89	>	if (!dumpFile_) {
90	>	sprintf(painCave.errMsg, "Could not open \"%s\" for dump output.\n",
91	>	filename_.c_str());
92	>	painCave.isFatal = 1;
93	>	simError();
94	>	}
95
96	<	if( !dumpFile ){
96	>	#ifdef IS_MPI
97
36	–	sprintf( painCave.errMsg,
37	–	"Could not open \"%s\" for dump output.\n",
38	–	entry_plug->sampleName.c_str());
39	–	painCave.isFatal = 1;
40	–	simError();
98		}
99
100	<	#ifdef IS_MPI
100	>	#endif // is_mpi
101	>
102		}
103
46	–	//sort the local atoms by global index
47	–	sortByGlobalIndex();
48	–
49	–	sprintf( checkPointMsg,
50	–	"Sucessfully opened output file for dumping.\n");
51	–	MPIcheckPoint();
52	–	#endif // is_mpi
53	–	}
104
105	<	DumpWriter::~DumpWriter( ){
105	>	DumpWriter::DumpWriter(SimInfo* info, const std::string& filename)
106	>	: info_(info), filename_(filename){
107
108	<	#ifdef IS_MPI
109	<	if(worldRank == 0 ){
59	<	#endif // is_mpi
108	>	Globals* simParams = info->getSimParams();
109	>	eorFilename_ = filename_.substr(0, filename_.rfind(".")) + ".eor";
110
111	<	dumpFile.close();
111	>	needCompression_   = simParams->getCompressDumpFile();
112	>	needForceVector_   = simParams->getOutputForceVector();
113	>	needParticlePot_   = simParams->getOutputParticlePotential();
114	>	needFlucQ_         = simParams->getOutputFluctuatingCharges();
115	>	needElectricField_ = simParams->getOutputElectricField();
116
117	+	if (needParticlePot_ || needFlucQ_ || needElectricField_) {
118	+	doSiteData_ = true;
119	+	} else {
120	+	doSiteData_ = false;
121	+	}
122	+
123	+	createDumpFile_ = true;
124	+	#ifdef HAVE_LIBZ
125	+	if (needCompression_) {
126	+	filename_ += ".gz";
127	+	eorFilename_ += ".gz";
128	+	}
129	+	#endif
130	+
131		#ifdef IS_MPI
132	<	}
132	>
133	>	if (worldRank == 0) {
134		#endif // is_mpi
66	–	}
135
136	+
137	+	dumpFile_ = createOStream(filename_);
138	+
139	+	if (!dumpFile_) {
140	+	sprintf(painCave.errMsg, "Could not open \"%s\" for dump output.\n",
141	+	filename_.c_str());
142	+	painCave.isFatal = 1;
143	+	simError();
144	+	}
145	+
146		#ifdef IS_MPI
147
148	<	/**
71	<	* A hook function to load balancing
72	<	*/
148	>	}
149
150	<	void DumpWriter::update(){
75	<	sortByGlobalIndex();
76	<	}
77	<
78	<	/**
79	<	* Auxiliary sorting function
80	<	*/
81	<
82	<	bool indexSortingCriterion(const pair<int, int>& p1, const pair<int, int>& p2){
83	<	return p1.second < p2.second;
84	<	}
150	>	#endif // is_mpi
151
152	<	/**
87	<	* Sorting the local index by global index
88	<	*/
89	<
90	<	void DumpWriter::sortByGlobalIndex(){
91	<	Molecule* mols = entry_plug->molecules;
92	<	indexArray.clear();
152	>	}
153
154	<	for(int i = 0; i < entry_plug->n_mol;i++)
155	<	indexArray.push_back(make_pair(i, mols[i].getGlobalIndex()));
156	<
157	<	sort(indexArray.begin(), indexArray.end(), indexSortingCriterion);
158	<	}
154	>	DumpWriter::DumpWriter(SimInfo* info, const std::string& filename, bool writeDumpFile)
155	>	: info_(info), filename_(filename){
156	>
157	>	Globals* simParams = info->getSimParams();
158	>	eorFilename_ = filename_.substr(0, filename_.rfind(".")) + ".eor";
159	>
160	>	needCompression_   = simParams->getCompressDumpFile();
161	>	needForceVector_   = simParams->getOutputForceVector();
162	>	needParticlePot_   = simParams->getOutputParticlePotential();
163	>	needFlucQ_         = simParams->getOutputFluctuatingCharges();
164	>	needElectricField_ = simParams->getOutputElectricField();
165
166	<	#endif
166	>	if (needParticlePot_ || needFlucQ_ || needElectricField_) {
167	>	doSiteData_ = true;
168	>	} else {
169	>	doSiteData_ = false;
170	>	}
171
172	<	void DumpWriter::writeDump(double currentTime){
173	<
174	<	ofstream finalOut;
175	<	vector<ofstream*> fileStreams;
106	<
107	<	#ifdef IS_MPI
108	<	if(worldRank == 0 ){
109	<	#endif
110	<	finalOut.open( entry_plug->finalName.c_str(), ios::out | ios::trunc );
111	<	if( !finalOut ){
112	<	sprintf( painCave.errMsg,
113	<	"Could not open \"%s\" for final dump output.\n",
114	<	entry_plug->finalName.c_str() );
115	<	painCave.isFatal = 1;
116	<	simError();
172	>	#ifdef HAVE_LIBZ
173	>	if (needCompression_) {
174	>	filename_ += ".gz";
175	>	eorFilename_ += ".gz";
176		}
177	+	#endif
178	+
179		#ifdef IS_MPI
180	<	}
180	>
181	>	if (worldRank == 0) {
182		#endif // is_mpi
183	+
184	+	createDumpFile_ = writeDumpFile;
185	+	if (createDumpFile_) {
186	+	dumpFile_ = createOStream(filename_);
187	+
188	+	if (!dumpFile_) {
189	+	sprintf(painCave.errMsg, "Could not open \"%s\" for dump output.\n",
190	+	filename_.c_str());
191	+	painCave.isFatal = 1;
192	+	simError();
193	+	}
194	+	}
195	+	#ifdef IS_MPI
196	+
197	+	}
198
199	<	fileStreams.push_back(&finalOut);
200	<	fileStreams.push_back(&dumpFile);
199	>
200	>	#endif // is_mpi
201	>
202	>	}
203
204	<	writeFrame(fileStreams, currentTime);
204	>	DumpWriter::~DumpWriter() {
205
206		#ifdef IS_MPI
128	–	finalOut.close();
129	–	#endif
130	–
131	–	}
207
208	<	void DumpWriter::writeFinal(double currentTime){
208	>	if (worldRank == 0) {
209	>	#endif // is_mpi
210	>	if (createDumpFile_){
211	>	writeClosing(*dumpFile_);
212	>	delete dumpFile_;
213	>	}
214	>	#ifdef IS_MPI
215
216	<	ofstream finalOut;
136	<	vector<ofstream*> fileStreams;
216	>	}
217
138	–	#ifdef IS_MPI
139	–	if(worldRank == 0 ){
218		#endif // is_mpi
219
220	<	finalOut.open( entry_plug->finalName.c_str(), ios::out | ios::trunc );
220	>	}
221
222	<	if( !finalOut ){
222	>	void DumpWriter::writeFrameProperties(std::ostream& os, Snapshot* s) {
223	>
224	>	char buffer[1024];
225	>
226	>	os << "    <FrameData>\n";
227	>
228	>	RealType currentTime = s->getTime();
229	>
230	>	if (isinf(currentTime) || isnan(currentTime)) {
231		sprintf( painCave.errMsg,
232	<	"Could not open \"%s\" for final dump output.\n",
147	<	entry_plug->finalName.c_str() );
232	>	"DumpWriter detected a numerical error writing the time");
233		painCave.isFatal = 1;
234		simError();
235		}
236	+
237	+	sprintf(buffer, "        Time: %.10g\n", currentTime);
238	+	os << buffer;
239
240	<	#ifdef IS_MPI
241	<	}
154	<	#endif // is_mpi
155	<
156	<	fileStreams.push_back(&finalOut);
157	<	writeFrame(fileStreams, currentTime);
240	>	Mat3x3d hmat;
241	>	hmat = s->getHmat();
242
243	<	#ifdef IS_MPI
244	<	finalOut.close();
245	<	#endif
246	<
247	<	}
243	>	for (unsigned int i = 0; i < 3; i++) {
244	>	for (unsigned int j = 0; j < 3; j++) {
245	>	if (isinf(hmat(i,j)) || isnan(hmat(i,j))) {
246	>	sprintf( painCave.errMsg,
247	>	"DumpWriter detected a numerical error writing the box");
248	>	painCave.isFatal = 1;
249	>	simError();
250	>	}
251	>	}
252	>	}
253	>
254	>	sprintf(buffer, "        Hmat: {{ %.10g, %.10g, %.10g }, { %.10g, %.10g, %.10g }, { %.10g, %.10g, %.10g }}\n",
255	>	hmat(0, 0), hmat(1, 0), hmat(2, 0),
256	>	hmat(0, 1), hmat(1, 1), hmat(2, 1),
257	>	hmat(0, 2), hmat(1, 2), hmat(2, 2));
258	>	os << buffer;
259
260	<	void DumpWriter::writeFrame( vector<ofstream*>& outFile, double currentTime ){
260	>	pair<RealType, RealType> thermostat = s->getThermostat();
261
262	<	const int BUFFERSIZE = 2000;
263	<	const int MINIBUFFERSIZE = 100;
264	<
265	<	char tempBuffer[BUFFERSIZE];
266	<	char writeLine[BUFFERSIZE];
267	<
268	<	int i;
269	<	unsigned int k;
262	>	if (isinf(thermostat.first)  || isnan(thermostat.first) ||
263	>	isinf(thermostat.second) || isnan(thermostat.second)) {
264	>	sprintf( painCave.errMsg,
265	>	"DumpWriter detected a numerical error writing the thermostat");
266	>	painCave.isFatal = 1;
267	>	simError();
268	>	}
269	>	sprintf(buffer, "  Thermostat: %.10g , %.10g\n", thermostat.first,
270	>	thermostat.second);
271	>	os << buffer;
272
273	<	#ifdef IS_MPI
274	<
178	<	/*********************************************************************
179	<	* Documentation?  You want DOCUMENTATION?
180	<	*
181	<	* Why all the potatoes below?
182	<	*
183	<	* To make a long story short, the original version of DumpWriter
184	<	* worked in the most inefficient way possible.  Node 0 would
185	<	* poke each of the node for an individual atom's formatted data
186	<	* as node 0 worked its way down the global index. This was particularly
187	<	* inefficient since the method blocked all processors at every atom
188	<	* (and did it twice!).
189	<	*
190	<	* An intermediate version of DumpWriter could be described from Node
191	<	* zero's perspective as follows:
192	<	*
193	<	*  1) Have 100 of your friends stand in a circle.
194	<	*  2) When you say go, have all of them start tossing potatoes at
195	<	*     you (one at a time).
196	<	*  3) Catch the potatoes.
197	<	*
198	<	* It was an improvement, but MPI has buffers and caches that could
199	<	* best be described in this analogy as "potato nets", so there's no
200	<	* need to block the processors atom-by-atom.
201	<	*
202	<	* This new and improved DumpWriter works in an even more efficient
203	<	* way:
204	<	*
205	<	*  1) Have 100 of your friend stand in a circle.
206	<	*  2) When you say go, have them start tossing 5-pound bags of
207	<	*     potatoes at you.
208	<	*  3) Once you've caught a friend's bag of potatoes,
209	<	*     toss them a spud to let them know they can toss another bag.
210	<	*
211	<	* How's THAT for documentation?
212	<	*
213	<	*********************************************************************/
273	>	Mat3x3d eta;
274	>	eta = s->getBarostat();
275
276	<	int *potatoes;
277	<	int myPotato;
278	<
279	<	int nProc;
280	<	int j, which_node, done, which_atom, local_index, currentIndex;
281	<	double atomData[13];
282	<	int isDirectional;
283	<	char* atomTypeString;
223	<	char MPIatomTypeString[MINIBUFFERSIZE];
224	<	int nObjects;
225	<	int msgLen; // the length of message actually recieved at master nodes
226	<	#endif //is_mpi
227	<
228	<	double q[4], ji[3];
229	<	DirectionalAtom* dAtom;
230	<	double pos[3], vel[3];
231	<	int nTotObjects;
232	<	StuntDouble* sd;
233	<	char* molName;
234	<	vector<StuntDouble*> integrableObjects;
235	<	vector<StuntDouble*>::iterator iter;
236	<	nTotObjects = entry_plug->getTotIntegrableObjects();
237	<	#ifndef IS_MPI
238	<
239	<	for(k = 0; k < outFile.size(); k++){
240	<	*outFile[k] << nTotObjects << "\n";
241	<
242	<	*outFile[k] << currentTime << ";\t"
243	<	<< entry_plug->Hmat[0][0] << "\t"
244	<	<< entry_plug->Hmat[1][0] << "\t"
245	<	<< entry_plug->Hmat[2][0] << ";\t"
246	<
247	<	<< entry_plug->Hmat[0][1] << "\t"
248	<	<< entry_plug->Hmat[1][1] << "\t"
249	<	<< entry_plug->Hmat[2][1] << ";\t"
250	<
251	<	<< entry_plug->Hmat[0][2] << "\t"
252	<	<< entry_plug->Hmat[1][2] << "\t"
253	<	<< entry_plug->Hmat[2][2] << ";";
254	<
255	<	//write out additional parameters, such as chi and eta
256	<	*outFile[k] << entry_plug->the_integrator->getAdditionalParameters() << endl;
257	<	}
258	<
259	<	for( i=0; i< entry_plug->n_mol; i++ ){
260	<
261	<	integrableObjects = entry_plug->molecules[i].getIntegrableObjects();
262	<	molName = (entry_plug->compStamps[entry_plug->molecules[i].getStampID()])->getID();
263	<
264	<	for( iter = integrableObjects.begin();iter !=  integrableObjects.end(); ++iter){
265	<	sd = *iter;
266	<	sd->getPos(pos);
267	<	sd->getVel(vel);
268	<
269	<	sprintf( tempBuffer,
270	<	"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t",
271	<	sd->getType(),
272	<	pos[0],
273	<	pos[1],
274	<	pos[2],
275	<	vel[0],
276	<	vel[1],
277	<	vel[2]);
278	<	strcpy( writeLine, tempBuffer );
279	<
280	<	if( sd->isDirectional() ){
281	<
282	<	sd->getQ( q );
283	<	sd->getJ( ji );
284	<
285	<	sprintf( tempBuffer,
286	<	"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
287	<	q[0],
288	<	q[1],
289	<	q[2],
290	<	q[3],
291	<	ji[0],
292	<	ji[1],
293	<	ji[2]);
294	<	strcat( writeLine, tempBuffer );
276	>	for (unsigned int i = 0; i < 3; i++) {
277	>	for (unsigned int j = 0; j < 3; j++) {
278	>	if (isinf(eta(i,j)) || isnan(eta(i,j))) {
279	>	sprintf( painCave.errMsg,
280	>	"DumpWriter detected a numerical error writing the barostat");
281	>	painCave.isFatal = 1;
282	>	simError();
283	>	}
284		}
296	–	else
297	–	strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
298	–
299	–	for(k = 0; k < outFile.size(); k++)
300	–	*outFile[k] << writeLine;
285		}
286
287	<	}
287	>	sprintf(buffer, "    Barostat: {{ %.10g, %.10g, %.10g }, { %.10g, %.10g, %.10g }, { %.10g, %.10g, %.10g }}\n",
288	>	eta(0, 0), eta(1, 0), eta(2, 0),
289	>	eta(0, 1), eta(1, 1), eta(2, 1),
290	>	eta(0, 2), eta(1, 2), eta(2, 2));
291	>	os << buffer;
292
293	<	#else // is_mpi
293	>	os << "    </FrameData>\n";
294	>	}
295
296	<	/* code to find maximum tag value */
308	<
309	<	int *tagub, flag, MAXTAG;
310	<	MPI_Attr_get(MPI_COMM_WORLD, MPI_TAG_UB, &tagub, &flag);
311	<	if (flag) {
312	<	MAXTAG = *tagub;
313	<	} else {
314	<	MAXTAG = 32767;
315	<	}
296	>	void DumpWriter::writeFrame(std::ostream& os) {
297
298	<	int haveError;
298	>	#ifdef IS_MPI
299	>	MPI_Status istatus;
300	>	#endif
301
302	<	MPI_Status istatus;
303	<	int nCurObj;
304	<	int *MolToProcMap = mpiSim->getMolToProcMap();
302	>	Molecule* mol;
303	>	StuntDouble* integrableObject;
304	>	SimInfo::MoleculeIterator mi;
305	>	Molecule::IntegrableObjectIterator ii;
306	>	RigidBody::AtomIterator ai;
307	>	Atom* atom;
308
309	<	// write out header and node 0's coordinates
309	>	#ifndef IS_MPI
310	>	os << "  <Snapshot>\n";
311	>
312	>	writeFrameProperties(os, info_->getSnapshotManager()->getCurrentSnapshot());
313
314	<	if( worldRank == 0 ){
314	>	os << "    <StuntDoubles>\n";
315	>	for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) {
316
327	–	// Node 0 needs a list of the magic potatoes for each processor;
328	–
329	–	nProc = mpiSim->getNProcessors();
330	–	potatoes = new int[nProc];
331	–
332	–	//write out the comment lines
333	–	for (i = 0; i < nProc; i++)
334	–	potatoes[i] = 0;
335	–
336	–	for(k = 0; k < outFile.size(); k++){
337	–	*outFile[k] << nTotObjects << "\n";
338	–
339	–	*outFile[k] << currentTime << ";\t"
340	–	<< entry_plug->Hmat[0][0] << "\t"
341	–	<< entry_plug->Hmat[1][0] << "\t"
342	–	<< entry_plug->Hmat[2][0] << ";\t"
343	–
344	–	<< entry_plug->Hmat[0][1] << "\t"
345	–	<< entry_plug->Hmat[1][1] << "\t"
346	–	<< entry_plug->Hmat[2][1] << ";\t"
347	–
348	–	<< entry_plug->Hmat[0][2] << "\t"
349	–	<< entry_plug->Hmat[1][2] << "\t"
350	–	<< entry_plug->Hmat[2][2] << ";";
351	–
352	–	*outFile[k] << entry_plug->the_integrator->getAdditionalParameters() << endl;
353	–	}
354	–
355	–	currentIndex = 0;
356	–
357	–	for (i = 0 ; i < mpiSim->getNMolGlobal(); i++ ) {
317
318	<	// Get the Node number which has this atom;
319	<
320	<	which_node = MolToProcMap[i];
362	<
363	<	if (which_node != 0) {
364	<
365	<	if (potatoes[which_node] + 1 >= MAXTAG) {
366	<	// The potato was going to exceed the maximum value,
367	<	// so wrap this processor potato back to 0:
368	<
369	<	potatoes[which_node] = 0;
370	<	MPI_Send(&potatoes[which_node], 1, MPI_INT, which_node, 0, MPI_COMM_WORLD);
318	>	for (integrableObject = mol->beginIntegrableObject(ii); integrableObject != NULL;
319	>	integrableObject = mol->nextIntegrableObject(ii)) {
320	>	os << prepareDumpLine(integrableObject);
321
322	<	}
322	>	}
323	>	}
324	>	os << "    </StuntDoubles>\n";
325
326	<	myPotato = potatoes[which_node];
326	>	if (doSiteData_) {
327	>	os << "    <SiteData>\n";
328	>	for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) {
329	>
330	>	for (integrableObject = mol->beginIntegrableObject(ii); integrableObject != NULL;
331	>	integrableObject = mol->nextIntegrableObject(ii)) {
332
333	<	//recieve the number of integrableObject in current molecule
334	<	MPI_Recv(&nCurObj, 1, MPI_INT, which_node,
335	<	myPotato, MPI_COMM_WORLD, &istatus);
379	<	myPotato++;
380	<
381	<	for(int l = 0; l < nCurObj; l++){
333	>	int ioIndex = integrableObject->getGlobalIntegrableObjectIndex();
334	>	// do one for the IO itself
335	>	os << prepareSiteLine(integrableObject, ioIndex, 0);
336
337	<	if (potatoes[which_node] + 2 >= MAXTAG) {
384	<	// The potato was going to exceed the maximum value,
385	<	// so wrap this processor potato back to 0:
386	<
387	<	potatoes[which_node] = 0;
388	<	MPI_Send(&potatoes[which_node], 1, MPI_INT, which_node, 0, MPI_COMM_WORLD);
337	>	if (integrableObject->isRigidBody()) {
338
339	+	RigidBody* rb = static_cast<RigidBody*>(integrableObject);
340	+	int siteIndex = 0;
341	+	for (atom = rb->beginAtom(ai); atom != NULL;
342	+	atom = rb->nextAtom(ai)) {
343	+	os << prepareSiteLine(atom, ioIndex, siteIndex);
344	+	siteIndex++;
345	+	}
346		}
347	+	}
348	+	}
349	+	os << "    </SiteData>\n";
350	+	}
351	+	os << "  </Snapshot>\n";
352
353	<	MPI_Recv(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, which_node,
354	<	myPotato, MPI_COMM_WORLD, &istatus);
353	>	os.flush();
354	>	#else
355	>	//every node prepares the dump lines for integrable objects belong to itself
356	>	std::string buffer;
357	>	for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) {
358
395	–	atomTypeString = MPIatomTypeString;
359
360	<	myPotato++;
360	>	for (integrableObject = mol->beginIntegrableObject(ii); integrableObject != NULL;
361	>	integrableObject = mol->nextIntegrableObject(ii)) {
362	>	buffer += prepareDumpLine(integrableObject);
363	>	}
364	>	}
365	>
366	>	const int masterNode = 0;
367	>	int nProc;
368	>	MPI_Comm_size(MPI_COMM_WORLD, &nProc);
369	>	if (worldRank == masterNode) {
370	>	os << "  <Snapshot>\n";
371	>	writeFrameProperties(os, info_->getSnapshotManager()->getCurrentSnapshot());
372	>	os << "    <StuntDoubles>\n";
373	>
374	>	os << buffer;
375
376	<	MPI_Recv(atomData, 13, MPI_DOUBLE, which_node, myPotato, MPI_COMM_WORLD, &istatus);
400	<	myPotato++;
376	>	for (int i = 1; i < nProc; ++i) {
377
378	<	MPI_Get_count(&istatus, MPI_DOUBLE, &msgLen);
378	>	// receive the length of the string buffer that was
379	>	// prepared by processor i
380
381	<	if(msgLen  == 13)
382	<	isDirectional = 1;
383	<	else
384	<	isDirectional = 0;
385	<
386	<	// If we've survived to here, format the line:
387	<
388	<	if (!isDirectional) {
389	<
390	<	sprintf( writeLine,
391	<	"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t",
392	<	atomTypeString,
393	<	atomData[0],
394	<	atomData[1],
395	<	atomData[2],
396	<	atomData[3],
397	<	atomData[4],
398	<	atomData[5]);
399	<
400	<	strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
401	<
402	<	}
403	<	else {
404	<
405	<	sprintf( writeLine,
406	<	"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
430	<	atomTypeString,
431	<	atomData[0],
432	<	atomData[1],
433	<	atomData[2],
434	<	atomData[3],
435	<	atomData[4],
436	<	atomData[5],
437	<	atomData[6],
438	<	atomData[7],
439	<	atomData[8],
440	<	atomData[9],
441	<	atomData[10],
442	<	atomData[11],
443	<	atomData[12]);
444	<
445	<	}
446	<
447	<	for(k = 0; k < outFile.size(); k++)
448	<	*outFile[k] << writeLine;
381	>	MPI_Bcast(&i, 1, MPI_INT,masterNode,MPI_COMM_WORLD);
382	>	int recvLength;
383	>	MPI_Recv(&recvLength, 1, MPI_INT, i, 0, MPI_COMM_WORLD, &istatus);
384	>	char* recvBuffer = new char[recvLength];
385	>	if (recvBuffer == NULL) {
386	>	} else {
387	>	MPI_Recv(recvBuffer, recvLength, MPI_CHAR, i, 0, MPI_COMM_WORLD, &istatus);
388	>	os << recvBuffer;
389	>	delete [] recvBuffer;
390	>	}
391	>	}
392	>	os << "    </StuntDoubles>\n";
393	>
394	>	os << "  </Snapshot>\n";
395	>	os.flush();
396	>	} else {
397	>	int sendBufferLength = buffer.size() + 1;
398	>	int myturn = 0;
399	>	for (int i = 1; i < nProc; ++i){
400	>	MPI_Bcast(&myturn,1, MPI_INT,masterNode,MPI_COMM_WORLD);
401	>	if (myturn == worldRank){
402	>	MPI_Send(&sendBufferLength, 1, MPI_INT, masterNode, 0, MPI_COMM_WORLD);
403	>	MPI_Send((void *)buffer.c_str(), sendBufferLength, MPI_CHAR, masterNode, 0, MPI_COMM_WORLD);
404	>	}
405	>	}
406	>	}
407
408	<	}// end for(int l =0)
451	<	potatoes[which_node] = myPotato;
408	>	#endif // is_mpi
409
410	<	}
454	<	else {
455	<
456	<	haveError = 0;
457	<
458	<	local_index = indexArray[currentIndex].first;
410	>	}
411
412	<	integrableObjects = (entry_plug->molecules[local_index]).getIntegrableObjects();
412	>	std::string DumpWriter::prepareDumpLine(StuntDouble* integrableObject) {
413	>
414	>	int index = integrableObject->getGlobalIntegrableObjectIndex();
415	>	std::string type("pv");
416	>	std::string line;
417	>	char tempBuffer[4096];
418
419	<	for(iter= integrableObjects.begin(); iter != integrableObjects.end(); ++iter){
420	<	sd = *iter;
421	<	atomTypeString = sd->getType();
465	<
466	<	sd->getPos(pos);
467	<	sd->getVel(vel);
468	<
469	<	atomData[0] = pos[0];
470	<	atomData[1] = pos[1];
471	<	atomData[2] = pos[2];
419	>	Vector3d pos;
420	>	Vector3d vel;
421	>	pos = integrableObject->getPos();
422
423	<	atomData[3] = vel[0];
424	<	atomData[4] = vel[1];
425	<	atomData[5] = vel[2];
426	<
427	<	isDirectional = 0;
423	>	if (isinf(pos[0]) || isnan(pos[0]) ||
424	>	isinf(pos[1]) || isnan(pos[1]) ||
425	>	isinf(pos[2]) || isnan(pos[2]) ) {
426	>	sprintf( painCave.errMsg,
427	>	"DumpWriter detected a numerical error writing the position"
428	>	" for object %d", index);
429	>	painCave.isFatal = 1;
430	>	simError();
431	>	}
432
433	<	if( sd->isDirectional() ){
433	>	vel = integrableObject->getVel();
434
435	<	isDirectional = 1;
436	<
437	<	sd->getQ( q );
438	<	sd->getJ( ji );
435	>	if (isinf(vel[0]) || isnan(vel[0]) ||
436	>	isinf(vel[1]) || isnan(vel[1]) ||
437	>	isinf(vel[2]) || isnan(vel[2]) ) {
438	>	sprintf( painCave.errMsg,
439	>	"DumpWriter detected a numerical error writing the velocity"
440	>	" for object %d", index);
441	>	painCave.isFatal = 1;
442	>	simError();
443	>	}
444
445	<	for (int j = 0; j < 6 ; j++)
446	<	atomData[j] = atomData[j];
447	<
448	<	atomData[6] = q[0];
449	<	atomData[7] = q[1];
450	<	atomData[8] = q[2];
451	<	atomData[9] = q[3];
452	<
453	<	atomData[10] = ji[0];
454	<	atomData[11] = ji[1];
455	<	atomData[12] = ji[2];
456	<	}
457	<
458	<	// If we've survived to here, format the line:
459	<
460	<	if (!isDirectional) {
461	<
462	<	sprintf( writeLine,
463	<	"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t",
464	<	atomTypeString,
506	<	atomData[0],
507	<	atomData[1],
508	<	atomData[2],
509	<	atomData[3],
510	<	atomData[4],
511	<	atomData[5]);
512	<
513	<	strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
514	<
515	<	}
516	<	else {
517	<
518	<	sprintf( writeLine,
519	<	"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
520	<	atomTypeString,
521	<	atomData[0],
522	<	atomData[1],
523	<	atomData[2],
524	<	atomData[3],
525	<	atomData[4],
526	<	atomData[5],
527	<	atomData[6],
528	<	atomData[7],
529	<	atomData[8],
530	<	atomData[9],
531	<	atomData[10],
532	<	atomData[11],
533	<	atomData[12]);
534	<
535	<	}
536	<
537	<	for(k = 0; k < outFile.size(); k++)
538	<	*outFile[k] << writeLine;
539	<
540	<
541	<	}//end for(iter = integrableObject.begin())
542	<
543	<	currentIndex++;
445	>	sprintf(tempBuffer, "%18.10g %18.10g %18.10g %13e %13e %13e",
446	>	pos[0], pos[1], pos[2],
447	>	vel[0], vel[1], vel[2]);
448	>	line += tempBuffer;
449	>
450	>	if (integrableObject->isDirectional()) {
451	>	type += "qj";
452	>	Quat4d q;
453	>	Vector3d ji;
454	>	q = integrableObject->getQ();
455	>
456	>	if (isinf(q[0]) || isnan(q[0]) ||
457	>	isinf(q[1]) || isnan(q[1]) ||
458	>	isinf(q[2]) || isnan(q[2]) ||
459	>	isinf(q[3]) || isnan(q[3]) ) {
460	>	sprintf( painCave.errMsg,
461	>	"DumpWriter detected a numerical error writing the quaternion"
462	>	" for object %d", index);
463	>	painCave.isFatal = 1;
464	>	simError();
465		}
466
467	<	}//end for(i = 0; i < mpiSim->getNmol())
547	<
548	<	for(k = 0; k < outFile.size(); k++)
549	<	outFile[k]->flush();
550	<
551	<	sprintf( checkPointMsg,
552	<	"Sucessfully took a dump.\n");
553	<
554	<	MPIcheckPoint();
555	<
556	<	delete[] potatoes;
557	<
558	<	} else {
467	>	ji = integrableObject->getJ();
468
469	<	// worldRank != 0, so I'm a remote node.
469	>	if (isinf(ji[0]) || isnan(ji[0]) ||
470	>	isinf(ji[1]) || isnan(ji[1]) ||
471	>	isinf(ji[2]) || isnan(ji[2]) ) {
472	>	sprintf( painCave.errMsg,
473	>	"DumpWriter detected a numerical error writing the angular"
474	>	" momentum for object %d", index);
475	>	painCave.isFatal = 1;
476	>	simError();
477	>	}
478
479	<	// Set my magic potato to 0:
479	>	sprintf(tempBuffer, " %13e %13e %13e %13e %13e %13e %13e",
480	>	q[0], q[1], q[2], q[3],
481	>	ji[0], ji[1], ji[2]);
482	>	line += tempBuffer;
483	>	}
484
485	<	myPotato = 0;
486	<	currentIndex = 0;
487	<
488	<	for (i = 0 ; i < mpiSim->getNMolGlobal(); i++ ) {
485	>	if (needForceVector_) {
486	>	type += "f";
487	>	Vector3d frc = integrableObject->getFrc();
488	>	if (isinf(frc[0]) || isnan(frc[0]) ||
489	>	isinf(frc[1]) || isnan(frc[1]) ||
490	>	isinf(frc[2]) || isnan(frc[2]) ) {
491	>	sprintf( painCave.errMsg,
492	>	"DumpWriter detected a numerical error writing the force"
493	>	" for object %d", index);
494	>	painCave.isFatal = 1;
495	>	simError();
496	>	}
497	>	sprintf(tempBuffer, " %13e %13e %13e",
498	>	frc[0], frc[1], frc[2]);
499	>	line += tempBuffer;
500
501	<	// Am I the node which has this integrableObject?
502	<
503	<	if (MolToProcMap[i] == worldRank) {
501	>	if (integrableObject->isDirectional()) {
502	>	type += "t";
503	>	Vector3d trq = integrableObject->getTrq();
504	>	if (isinf(trq[0]) || isnan(trq[0]) ||
505	>	isinf(trq[1]) || isnan(trq[1]) ||
506	>	isinf(trq[2]) || isnan(trq[2]) ) {
507	>	sprintf( painCave.errMsg,
508	>	"DumpWriter detected a numerical error writing the torque"
509	>	" for object %d", index);
510	>	painCave.isFatal = 1;
511	>	simError();
512	>	}
513	>	sprintf(tempBuffer, " %13e %13e %13e",
514	>	trq[0], trq[1], trq[2]);
515	>	line += tempBuffer;
516	>	}
517	>	}
518
519	+	sprintf(tempBuffer, "%10d %7s %s\n", index, type.c_str(), line.c_str());
520	+	return std::string(tempBuffer);
521	+	}
522
523	<	if (myPotato + 1 >= MAXTAG) {
524	<
576	<	// The potato was going to exceed the maximum value,
577	<	// so wrap this processor potato back to 0 (and block until
578	<	// node 0 says we can go:
579	<
580	<	MPI_Recv(&myPotato, 1, MPI_INT, 0, 0, MPI_COMM_WORLD, &istatus);
581	<
582	<	}
523	>	std::string DumpWriter::prepareSiteLine(StuntDouble* integrableObject, int ioIndex, int siteIndex) {
524	>
525
526	<	local_index = indexArray[currentIndex].first;
527	<	integrableObjects = entry_plug->molecules[local_index].getIntegrableObjects();
528	<
529	<	nCurObj = integrableObjects.size();
588	<
589	<	MPI_Send(&nCurObj, 1, MPI_INT, 0,
590	<	myPotato, MPI_COMM_WORLD);
591	<	myPotato++;
526	>	std::string id;
527	>	std::string type;
528	>	std::string line;
529	>	char tempBuffer[4096];
530
531	<	for( iter = integrableObjects.begin(); iter  != integrableObjects.end(); iter++){
532	<
533	<	if (myPotato + 2 >= MAXTAG) {
534	<
535	<	// The potato was going to exceed the maximum value,
536	<	// so wrap this processor potato back to 0 (and block until
537	<	// node 0 says we can go:
600	<
601	<	MPI_Recv(&myPotato, 1, MPI_INT, 0, 0, MPI_COMM_WORLD, &istatus);
531	>	if (integrableObject->isRigidBody()) {
532	>	sprintf(tempBuffer, "%10d           ", ioIndex);
533	>	id = std::string(tempBuffer);
534	>	} else {
535	>	sprintf(tempBuffer, "%10d %10d", ioIndex, siteIndex);
536	>	id = std::string(tempBuffer);
537	>	}
538
539	<	}
540	<
541	<	sd = *iter;
542	<
543	<	atomTypeString = sd->getType();
539	>	if (needFlucQ_) {
540	>	type += "cw";
541	>	RealType fqPos = integrableObject->getFlucQPos();
542	>	if (isinf(fqPos) || isnan(fqPos) ) {
543	>	sprintf( painCave.errMsg,
544	>	"DumpWriter detected a numerical error writing the"
545	>	" fluctuating charge for object %s", id.c_str());
546	>	painCave.isFatal = 1;
547	>	simError();
548	>	}
549	>	sprintf(tempBuffer, " %13e ", fqPos);
550	>	line += tempBuffer;
551	>
552	>	RealType fqVel = integrableObject->getFlucQVel();
553	>	if (isinf(fqVel) || isnan(fqVel) ) {
554	>	sprintf( painCave.errMsg,
555	>	"DumpWriter detected a numerical error writing the"
556	>	" fluctuating charge velocity for object %s", id.c_str());
557	>	painCave.isFatal = 1;
558	>	simError();
559	>	}
560	>	sprintf(tempBuffer, " %13e ", fqVel);
561	>	line += tempBuffer;
562
563	<	sd->getPos(pos);
564	<	sd->getVel(vel);
563	>	if (needForceVector_) {
564	>	type += "g";
565	>	RealType fqFrc = integrableObject->getFlucQFrc();
566	>	if (isinf(fqFrc) || isnan(fqFrc) ) {
567	>	sprintf( painCave.errMsg,
568	>	"DumpWriter detected a numerical error writing the"
569	>	" fluctuating charge force for object %s", id.c_str());
570	>	painCave.isFatal = 1;
571	>	simError();
572	>	}
573	>	sprintf(tempBuffer, " %13e ", fqFrc);
574	>	line += tempBuffer;
575	>	}
576	>	}
577
578	<	atomData[0] = pos[0];
579	<	atomData[1] = pos[1];
580	<	atomData[2] = pos[2];
578	>	if (needElectricField_) {
579	>	type += "e";
580	>	Vector3d eField= integrableObject->getElectricField();
581	>	if (isinf(eField[0]) || isnan(eField[0]) ||
582	>	isinf(eField[1]) || isnan(eField[1]) ||
583	>	isinf(eField[2]) || isnan(eField[2]) ) {
584	>	sprintf( painCave.errMsg,
585	>	"DumpWriter detected a numerical error writing the electric"
586	>	" field for object %s", id.c_str());
587	>	painCave.isFatal = 1;
588	>	simError();
589	>	}
590	>	sprintf(tempBuffer, " %13e %13e %13e",
591	>	eField[0], eField[1], eField[2]);
592	>	line += tempBuffer;
593	>	}
594
616	–	atomData[3] = vel[0];
617	–	atomData[4] = vel[1];
618	–	atomData[5] = vel[2];
619	–
620	–	isDirectional = 0;
595
596	<	if( sd->isDirectional() ){
596	>	if (needParticlePot_) {
597	>	type += "u";
598	>	RealType particlePot = integrableObject->getParticlePot();
599	>	if (isinf(particlePot) || isnan(particlePot)) {
600	>	sprintf( painCave.errMsg,
601	>	"DumpWriter detected a numerical error writing the particle "
602	>	" potential for object %s", id.c_str());
603	>	painCave.isFatal = 1;
604	>	simError();
605	>	}
606	>	sprintf(tempBuffer, " %13e", particlePot);
607	>	line += tempBuffer;
608	>	}
609	>
610
611	<	isDirectional = 1;
612	<
613	<	sd->getQ( q );
627	<	sd->getJ( ji );
628	<
629	<
630	<	atomData[6] = q[0];
631	<	atomData[7] = q[1];
632	<	atomData[8] = q[2];
633	<	atomData[9] = q[3];
634	<
635	<	atomData[10] = ji[0];
636	<	atomData[11] = ji[1];
637	<	atomData[12] = ji[2];
638	<	}
611	>	sprintf(tempBuffer, "%s %7s %s\n", id.c_str(), type.c_str(), line.c_str());
612	>	return std::string(tempBuffer);
613	>	}
614
615	<
616	<	strncpy(MPIatomTypeString, atomTypeString, MINIBUFFERSIZE);
615	>	void DumpWriter::writeDump() {
616	>	writeFrame(*dumpFile_);
617	>	}
618
619	<	// null terminate the string before sending (just in case):
620	<	MPIatomTypeString[MINIBUFFERSIZE-1] = '\0';
619	>	void DumpWriter::writeEor() {
620	>	std::ostream* eorStream;
621	>
622	>	#ifdef IS_MPI
623	>	if (worldRank == 0) {
624	>	#endif // is_mpi
625
626	<	MPI_Send(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, 0,
647	<	myPotato, MPI_COMM_WORLD);
648	<
649	<	myPotato++;
650	<
651	<	if (isDirectional) {
626	>	eorStream = createOStream(eorFilename_);
627
628	<	MPI_Send(atomData, 13, MPI_DOUBLE, 0,
629	<	myPotato, MPI_COMM_WORLD);
630	<
656	<	} else {
628	>	#ifdef IS_MPI
629	>	}
630	>	#endif // is_mpi
631
632	<	MPI_Send(atomData, 6, MPI_DOUBLE, 0,
659	<	myPotato, MPI_COMM_WORLD);
660	<	}
632	>	writeFrame(*eorStream);
633
634	<	myPotato++;
634	>	#ifdef IS_MPI
635	>	if (worldRank == 0) {
636	>	#endif // is_mpi
637	>	writeClosing(*eorStream);
638	>	delete eorStream;
639	>	#ifdef IS_MPI
640	>	}
641	>	#endif // is_mpi
642
643	<	}
643	>	}
644
666	–	currentIndex++;
667	–
668	–	}
669	–
670	–	}
645
646	<	sprintf( checkPointMsg,
647	<	"Sucessfully took a dump.\n");
648	<	MPIcheckPoint();
649	<
646	>	void DumpWriter::writeDumpAndEor() {
647	>	std::vector<std::streambuf*> buffers;
648	>	std::ostream* eorStream;
649	>	#ifdef IS_MPI
650	>	if (worldRank == 0) {
651	>	#endif // is_mpi
652	>
653	>	buffers.push_back(dumpFile_->rdbuf());
654	>
655	>	eorStream = createOStream(eorFilename_);
656	>
657	>	buffers.push_back(eorStream->rdbuf());
658	>
659	>	#ifdef IS_MPI
660		}
661	+	#endif // is_mpi
662
663	+	TeeBuf tbuf(buffers.begin(), buffers.end());
664	+	std::ostream os(&tbuf);
665
666	<
680	<	#endif // is_mpi
681	<	}
666	>	writeFrame(os);
667
668		#ifdef IS_MPI
669	+	if (worldRank == 0) {
670	+	#endif // is_mpi
671	+	writeClosing(*eorStream);
672	+	delete eorStream;
673	+	#ifdef IS_MPI
674	+	}
675	+	#endif // is_mpi
676	+
677	+	}
678
679	<	// a couple of functions to let us escape the write loop
679	>	std::ostream* DumpWriter::createOStream(const std::string& filename) {
680
681	<	void dWrite::DieDieDie( void ){
681	>	std::ostream* newOStream;
682	>	#ifdef HAVE_LIBZ
683	>	if (needCompression_) {
684	>	newOStream = new ogzstream(filename.c_str());
685	>	} else {
686	>	newOStream = new std::ofstream(filename.c_str());
687	>	}
688	>	#else
689	>	newOStream = new std::ofstream(filename.c_str());
690	>	#endif
691	>	//write out MetaData first
692	>	(*newOStream) << "<OpenMD version=2>" << std::endl;
693	>	(*newOStream) << "  <MetaData>" << std::endl;
694	>	(*newOStream) << info_->getRawMetaData();
695	>	(*newOStream) << "  </MetaData>" << std::endl;
696	>	return newOStream;
697	>	}
698
699	<	MPI_Finalize();
690	<	exit (0);
691	<	}
699	>	void DumpWriter::writeClosing(std::ostream& os) {
700
701	<	#endif //is_mpi
701	>	os << "</OpenMD>\n";
702	>	os.flush();
703	>	}
704	>
705	>	}//end namespace OpenMD

Comparing:
trunk/src/io/DumpWriter.cpp (property svn:keywords), Revision 3 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
branches/development/src/io/DumpWriter.cpp (property svn:keywords), Revision 1764 by gezelter, Tue Jul 3 18:32:27 2012 UTC

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