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root/group/trunk/OOPSE/libmdtools/DumpReader.cpp
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Comparing trunk/OOPSE/libmdtools/DumpReader.cpp (file contents):
Revision 1118 by tim, Mon Apr 19 03:52:27 2004 UTC vs.
Revision 1130 by tim, Thu Apr 22 14:55:17 2004 UTC

# Line 112 | Line 112 | void DumpReader::scanFile( void ){
112        painCave.isFatal = 1;
113        simError();
114      }
115 –    framePos.push_back(currPos);
115  
116      while( !feof( inFile ) ){
117 +      
118 +      framePos.push_back(currPos);
119  
120        i = atoi(readBuffer);
121        
# Line 149 | Line 150 | void DumpReader::scanFile( void ){
150        currPos = new fpos_t;
151        fgetpos( inFile, currPos );
152        fgets( readBuffer, sizeof( readBuffer ), inFile );
152 –      framePos.push_back(currPos);
153        lineNum++;
154      }
155      
# Line 198 | Line 198 | void DumpReader :: readSet( int whichFrame ){
198    eof_test = fgets(read_buffer, sizeof(read_buffer), inFile);
199    if( eof_test == NULL ){
200      sprintf( painCave.errMsg,
201 <             "InitializeFromFile error: error reading 1st line of \"%s\"\n",
201 >             "DumpReader error: error reading 1st line of \"%s\"\n",
202               inFileName.c_str() );
203      painCave.isFatal = 1;
204      simError();
# Line 208 | Line 208 | void DumpReader :: readSet( int whichFrame ){
208  
209    if( nTotObjs != simnfo->getTotIntegrableObjects() ){
210      sprintf( painCave.errMsg,
211 <             "Initialize from File error. %s n_atoms, %d, "
211 >             "DumpReader error. %s n_atoms, %d, "
212               "does not match the BASS file's n_atoms, %d.\n",
213               inFileName.c_str(), nTotObjs, simnfo->getTotIntegrableObjects());
214      painCave.isFatal = 1;
# Line 273 | Line 273 | void DumpReader :: readSet( int whichFrame ){
273    int *MolToProcMap = mpiSim->getMolToProcMap();
274    int localIndex;
275    int nCurObj;
276 +  int nitems;
277  
278 +  nTotObjs = simnfo->getTotIntegrableObjects();
279    haveError = 0;
280    if (worldRank == 0) {
281       fsetpos(inFile,  framePos[whichFrame]);
# Line 286 | Line 288 | void DumpReader :: readSet( int whichFrame ){
288        simError();
289      }
290  
291 <    nTotObjs = atoi( read_buffer );
291 >    nitems = atoi( read_buffer );
292  
293      // Check to see that the number of integrable objects  in the intial configuration file is the
294      // same as declared in simBass.
295  
296 <    if( nTotObjs != simnfo->getTotIntegrableObjects()){
296 >    if( nTotObjs != nitems){
297        sprintf( painCave.errMsg,
298 <               "Initialize from File error. %s n_atoms, %d, "
298 >               "DumpReadererror. %s n_atoms, %d, "
299                 "does not match the BASS file's n_atoms, %d.\n",
300                 inFileName.c_str(), nTotObjs, simnfo->getTotIntegrableObjects());
301        haveError= 1;
# Line 354 | Line 356 | void DumpReader :: readSet( int whichFrame ){
356            
357            if(haveError) nodeZeroError();
358  
359 <          parseDumpLine(read_buffer, integrableObjects[i]);
359 >          parseDumpLine(read_buffer, integrableObjects[j]);
360            
361         }
362  
# Line 363 | Line 365 | void DumpReader :: readSet( int whichFrame ){
365        else{
366        //molecule belongs to slave nodes
367  
368 <        MPI_Recv(&nCurObj, 1, MPI_INT, 0,
368 >        MPI_Recv(&nCurObj, 1, MPI_INT, which_node,
369                 TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
370        
371 <       for(j=0; j < integrableObjects.size(); j++){
371 >       for(j=0; j < nCurObj; j++){
372          
373            eof_test = fgets(read_buffer, sizeof(read_buffer), inFile);
374            if(eof_test == NULL){
# Line 393 | Line 395 | void DumpReader :: readSet( int whichFrame ){
395    }
396    else{
397    //actions taken at slave nodes
398 +    MPI_Bcast(read_buffer, BUFFERSIZE, MPI_CHAR, 0, MPI_COMM_WORLD);
399 +
400 +    parseErr = parseCommentLine( read_buffer, simnfo);
401 +
402 +    if( parseErr != NULL ){
403 +      strcpy( painCave.errMsg, parseErr );
404 +      haveError = 1;
405 +      simError();
406 +    }
407 +  
408      for (i=0 ; i < mpiSim->getTotNmol(); i++) {
409        which_node = MolToProcMap[i];
410        
# Line 411 | Line 423 | void DumpReader :: readSet( int whichFrame ){
423  
424          nCurObj = integrableObjects.size();
425          
426 <        MPI_Recv(&nCurObj, 1, MPI_INT, 0,
427 <                        TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
426 >        MPI_Send(&nCurObj, 1, MPI_INT, 0,
427 >                        TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
428  
429          for(j = 0; j < integrableObjects.size(); j++){
430  
# Line 456 | Line 468 | char* DumpReader::parseDumpLine(char* readLine, StuntD
468  
469    if( strcmp( foo, sd->getType() ) ){
470      sprintf( painCave.errMsg,
471 <             "Initialize from file error.  Does not"
471 >             "DumpReader error.  Does not"
472               " match the BASS atom %s.\n",
473               sd->getType() );
474      return strdup( painCave.errMsg );

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