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root/OpenMD/trunk/src/io/DumpWriter.cpp

Comparing trunk/src/io/DumpWriter.cpp (file contents):
Revision 1437 by gezelter, Wed Apr 21 14:59:18 2010 UTC vs.
Revision 1610 by gezelter, Fri Aug 12 14:37:25 2011 UTC

#	Line 60 | Line 60 | namespace OpenMD {
60		Globals* simParams = info->getSimParams();
61		needCompression_ = simParams->getCompressDumpFile();
62		needForceVector_ = simParams->getOutputForceVector();
63	+	needParticlePot_ = simParams->getOutputParticlePotential();
64		createDumpFile_ = true;
65		#ifdef HAVE_LIBZ
66		if (needCompression_) {
#	Line 99 | Line 100 | namespace OpenMD {
100
101		needCompression_ = simParams->getCompressDumpFile();
102		needForceVector_ = simParams->getOutputForceVector();
103	+	needParticlePot_ = simParams->getOutputParticlePotential();
104		createDumpFile_ = true;
105		#ifdef HAVE_LIBZ
106		if (needCompression_) {
#	Line 138 | Line 140 | namespace OpenMD {
140
141		needCompression_ = simParams->getCompressDumpFile();
142		needForceVector_ = simParams->getOutputForceVector();
143	+	needParticlePot_ = simParams->getOutputParticlePotential();
144
145		#ifdef HAVE_LIBZ
146		if (needCompression_) {
#	Line 306 | Line 309 | namespace OpenMD {
309		}
310
311		const int masterNode = 0;
312	<
312	>	int nProc;
313	>	MPI_Comm_size(MPI_COMM_WORLD, &nProc);
314		if (worldRank == masterNode) {
315		os << "  <Snapshot>\n";
316		writeFrameProperties(os, info_->getSnapshotManager()->getCurrentSnapshot());
#	Line 314 | Line 318 | namespace OpenMD {
318
319		os << buffer;
320
321	<	int nProc;
318	<	MPI_Comm_size(MPI_COMM_WORLD, &nProc);
321	>
322		for (int i = 1; i < nProc; ++i) {
323
324		// receive the length of the string buffer that was
325		// prepared by processor i
326	<
326	>
327	>	MPI_Bcast(&i, 1, MPI_INT,masterNode,MPI_COMM_WORLD);
328		int recvLength;
329		MPI_Recv(&recvLength, 1, MPI_INT, i, 0, MPI_COMM_WORLD, &istatus);
330		char* recvBuffer = new char[recvLength];
#	Line 337 | Line 341 | namespace OpenMD {
341		os.flush();
342		} else {
343		int sendBufferLength = buffer.size() + 1;
344	<	MPI_Send(&sendBufferLength, 1, MPI_INT, masterNode, 0, MPI_COMM_WORLD);
345	<	MPI_Send((void *)buffer.c_str(), sendBufferLength, MPI_CHAR, masterNode, 0, MPI_COMM_WORLD);
344	>	int myturn = 0;
345	>	for (int i = 1; i < nProc; ++i){
346	>	MPI_Bcast(&myturn,1, MPI_INT,masterNode,MPI_COMM_WORLD);
347	>	if (myturn == worldRank){
348	>	MPI_Send(&sendBufferLength, 1, MPI_INT, masterNode, 0, MPI_COMM_WORLD);
349	>	MPI_Send((void *)buffer.c_str(), sendBufferLength, MPI_CHAR, masterNode, 0, MPI_COMM_WORLD);
350	>	}
351	>	}
352		}
353
354		#endif // is_mpi
#	Line 458 | Line 468 | namespace OpenMD {
468		line += tempBuffer;
469		}
470		}
471	+	if (needParticlePot_) {
472	+	type += "u";
473	+	RealType particlePot;
474	+
475	+	particlePot = integrableObject->getParticlePot();
476	+
477	+	if (isinf(particlePot) || isnan(particlePot)) {
478	+	sprintf( painCave.errMsg,
479	+	"DumpWriter detected a numerical error writing the particle "
480	+	" potential for object %d", index);
481	+	painCave.isFatal = 1;
482	+	simError();
483	+	}
484	+	sprintf(tempBuffer, " %13e", particlePot);
485	+	line += tempBuffer;
486	+	}
487
488		sprintf(tempBuffer, "%10d %7s %s\n", index, type.c_str(), line.c_str());
489		return std::string(tempBuffer);

Comparing trunk/src/io/DumpWriter.cpp (property svn:keywords):
Revision 1437 by gezelter, Wed Apr 21 14:59:18 2010 UTC vs.
Revision 1610 by gezelter, Fri Aug 12 14:37:25 2011 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

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