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root/group/trunk/OOPSE/libmdtools/DumpWriter.cpp
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Comparing trunk/OOPSE/libmdtools/DumpWriter.cpp (file contents):
Revision 907 by gezelter, Thu Jan 8 17:40:56 2004 UTC vs.
Revision 913 by chuckv, Thu Jan 8 22:25:52 2004 UTC

# Line 66 | Line 66 | void DumpWriter::writeDump( double currentTime ){
66   void DumpWriter::writeDump( double currentTime ){
67  
68    const int BUFFERSIZE = 2000;
69 <  const int MINIBUFFERSIZE = 10;
69 >  const int MINIBUFFERSIZE = 100;
70  
71    char tempBuffer[BUFFERSIZE];
72    char writeLine[BUFFERSIZE];
# Line 78 | Line 78 | void DumpWriter::writeDump( double currentTime ){
78    double atomOrientData[7];
79    int isDirectional;
80    char* atomTypeString;
81 +  char MPIatomTypeString[MINIBUFFERSIZE];
82    int me;
83    int atomTypeTag;
84    int atomIsDirectionalTag;
# Line 157 | Line 158 | void DumpWriter::writeDump( double currentTime ){
158  
159   #else // is_mpi
160  
161 <  // first thing first, suspend fatalities.
162 <  painCave.isEventLoop = 1;
161 >  /* code to find maximum tag value */
162 >  int *tagub, flag, MAXTAG;
163 >  MPI_Attr_get(MPI_COMM_WORLD, MPI_TAG_UB, &tagub, &flag);
164 >  if (flag) {
165 >    MAXTAG = *tagub;
166 >  } else {
167 >    MAXTAG = 32767;
168 >  }
169  
163 –  int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone
170    int haveError;
171  
172    MPI_Status istatus;
# Line 187 | Line 193 | void DumpWriter::writeDump( double currentTime ){
193      outFile << entry_plug->the_integrator->getAdditionalParameters();
194      outFile << endl;
195      outFile.flush();
196 +
197 +    tag = 0;
198 +
199      for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) {
191 –      // Get the Node number which has this atom;
200  
201 +      if (tag + 2 >= MAXTAG) {
202 +        // The tag was going to exceed the maximum value, so wrap around to 0:
203 +        tag = 0;
204 +        // Send the newly zeroed tag on to the other nodes:
205 +        MPI_Bcast(&tag, 1, MPI_INT, 0, MPI_COMM_WORLD);
206 +      }
207 +      
208 +      // Get the Node number which has this atom;
209 +      
210        which_node = AtomToProcMap[i];
211 <
211 >      
212        if (which_node != 0) {
213          
214 <        atomTypeTag          = 4*i;
198 <        atomIsDirectionalTag = 4*i + 1;
199 <        atomTransDataTag     = 4*i + 2;
200 <        atomOrientDataTag    = 4*i + 3;
201 <
202 <        MPI_Recv(atomTypeString, MINIBUFFERSIZE, MPI_CHAR, which_node,
214 >        MPI_Recv(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, which_node,
215                   atomTypeTag, MPI_COMM_WORLD, &istatus);
216          
217 +        strncpy(atomTypeString, MPIatomTypeString, MINIBUFFERSIZE);
218 +        
219 +        // Null terminate the atomTypeString just in case:
220 +
221 +        atomTypeString[strlen(atomTypeString) - 1] = '\0';
222 +
223          MPI_Recv(&isDirectional, 1, MPI_INT, which_node,
224                   atomIsDirectionalTag, MPI_COMM_WORLD, &istatus);
225          
# Line 373 | Line 391 | void DumpWriter::writeDump( double currentTime ){
391          atomTransDataTag     = 4*i + 2;
392          atomOrientDataTag    = 4*i + 3;
393  
394 <        MPI_Send(atomTypeString, MINIBUFFERSIZE, MPI_CHAR, 0,
394 >
395 >        strncpy(MPIatomTypeString, atomTypeString, MINIBUFFERSIZE);
396 >
397 >        // null terminate the string before sending (just in case):
398 >        MPIatomTypeString[MINIBUFFERSIZE-1] = '\0';
399 >
400 >        MPI_Send(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, 0,
401                   atomTypeTag, MPI_COMM_WORLD);
402          
403          MPI_Send(&isDirectional, 1, MPI_INT, 0,
# Line 409 | Line 433 | void DumpWriter::writeFinal(double finalTime){
433    ofstream finalOut;
434  
435    const int BUFFERSIZE = 2000;
436 <  const int MINIBUFFERSIZE = 10;
436 >  const int MINIBUFFERSIZE = 100;
437    char tempBuffer[BUFFERSIZE];
438    char writeLine[BUFFERSIZE];
439  
# Line 423 | Line 447 | void DumpWriter::writeFinal(double finalTime){
447    double atomOrientData[7];
448    int isDirectional;
449    char* atomTypeString;
450 +  char MPIatomTypeString[MINIBUFFERSIZE];
451    int atomTypeTag;
452    int atomIsDirectionalTag;
453    int atomTransDataTag;
# Line 564 | Line 589 | void DumpWriter::writeFinal(double finalTime){
589          atomTransDataTag     = 4*i + 2;
590          atomOrientDataTag    = 4*i + 3;
591  
592 <        MPI_Recv(atomTypeString, MINIBUFFERSIZE, MPI_CHAR, which_node,
592 >        MPI_Recv(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, which_node,
593                   atomTypeTag, MPI_COMM_WORLD, &istatus);
594          
595 +        strncpy(atomTypeString, MPIatomTypeString, MINIBUFFERSIZE);
596 +
597          MPI_Recv(&isDirectional, 1, MPI_INT, which_node,
598                   atomIsDirectionalTag, MPI_COMM_WORLD, &istatus);
599          
# Line 738 | Line 765 | void DumpWriter::writeFinal(double finalTime){
765          atomTransDataTag     = 4*i + 2;
766          atomOrientDataTag    = 4*i + 3;
767  
768 <        MPI_Send(atomTypeString, MINIBUFFERSIZE, MPI_CHAR, 0,
768 >        strncpy(MPIatomTypeString, atomTypeString, MINIBUFFERSIZE);
769 >
770 >        MPI_Send(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, 0,
771                   atomTypeTag, MPI_COMM_WORLD);
772          
773          MPI_Send(&isDirectional, 1, MPI_INT, 0,

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