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root/group/branches/no-template-branch/OOPSE/libmdtools/InitializeFromFile.cpp
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Comparing:
branches/mmeineke/OOPSE/libmdtools/InitializeFromFile.cpp (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libmdtools/InitializeFromFile.cpp (file contents), Revision 829 by gezelter, Tue Oct 28 16:03:37 2003 UTC

# Line 1 | Line 1
1   #include <iostream>
2 < #include <cmath>
2 > #include <math.h>
3  
4   #include <stdio.h>
5   #include <stdlib.h>
# Line 12 | Line 12
12   #include "simError.h"
13  
14   #ifdef IS_MPI
15 + #include <mpi.h>
16   #include "mpiSimulation.hpp"
17 + #define TAKE_THIS_TAG_CHAR 0
18 + #define TAKE_THIS_TAG_INT 1
19  
20 < #define TAKE_THIS_TAG 0
20 > namespace initFile{
21 >  void nodeZeroError( void );
22 >  void anonymousNodeDie( void );
23 > }
24 >
25 > using namespace initFile;
26 >
27   #endif // is_mpi
28  
29 < InitializeFromFile :: InitializeFromFile( char *in_name ){
29 > InitializeFromFile::InitializeFromFile( char *in_name ){
30 >
31   #ifdef IS_MPI
32    if (worldRank == 0) {
33   #endif
# Line 39 | Line 49 | InitializeFromFile :: InitializeFromFile( char *in_nam
49    return;  
50   }
51  
52 < InitializeFromFile :: ~InitializeFromFile( ){
52 > InitializeFromFile::~InitializeFromFile( ){
53   #ifdef IS_MPI
54    if (worldRank == 0) {
55   #endif
# Line 60 | Line 70 | InitializeFromFile :: ~InitializeFromFile( ){
70   }
71  
72  
73 < void InitializeFromFile :: read_xyz( SimInfo* the_entry_plug ){
73 > void InitializeFromFile :: readInit( SimInfo* the_simnfo ){
74  
75 <  int i; // loop counter
75 >  int i, j;
76 >  
77 > #ifdef IS_MPI
78 >  int done, which_node, which_atom; // loop counter
79 > #endif //is_mpi
80  
81    const int BUFFERSIZE = 2000; // size of the read buffer
82    int n_atoms; // the number of atoms
83    char read_buffer[BUFFERSIZE]; //the line buffer for reading
70 – #ifdef IS_MPI
71 –  char send_buffer[BUFFERSIZE];
72 – #endif
84  
85    char *eof_test; // ptr to see when we reach the end of the file
86    char *parseErr;
76 –  int procIndex;
87  
88 <  entry_plug = the_entry_plug;
88 >  double currTime;
89 >  double boxMat[9];
90 >  double theBoxMat3[3][3];
91  
92 +  simnfo = the_simnfo;
93  
94 +
95   #ifndef IS_MPI
96    eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
97    if( eof_test == NULL ){
# Line 90 | Line 104 | void InitializeFromFile :: read_xyz( SimInfo* the_entr
104  
105    n_atoms = atoi( read_buffer );
106  
107 <  Atom **atoms = entry_plug->atoms;
94 <  DirectionalAtom* dAtom;
95 <
96 <  if( n_atoms != entry_plug->n_atoms ){
107 >  if( n_atoms != simnfo->n_atoms ){
108      sprintf( painCave.errMsg,
109               "Initialize from File error. %s n_atoms, %d, "
110               "does not match the BASS file's n_atoms, %d.\n",
111 <             c_in_name, n_atoms, entry_plug->n_atoms );
111 >             c_in_name, n_atoms, simnfo->n_atoms );
112      painCave.isFatal = 1;
113      simError();
114    }
115    
116 <  //read and toss the comment line
116 >  //read the box mat from the comment line
117    
118    eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
119    if(eof_test == NULL){
# Line 112 | Line 123 | void InitializeFromFile :: read_xyz( SimInfo* the_entr
123      simError();
124    }
125  
126 +  parseErr = parseBoxLine( read_buffer, boxMat, currTime );
127 +  if( parseErr != NULL ){
128 +    strcpy( painCave.errMsg, parseErr );
129 +    painCave.isFatal = 1;
130 +    simError();
131 +  }
132 +
133 +  for(i=0;i<3;i++)
134 +    for(j=0;j<3;j++) theBoxMat3[i][j] = boxMat[3*j+i];
135 +
136 +  simnfo->setBoxM( theBoxMat3 );
137 +  simnfo->setTime( currTime );
138 +
139 +
140    for( i=0; i < n_atoms; i++){
141      
142      eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
# Line 131 | Line 156 | void InitializeFromFile :: read_xyz( SimInfo* the_entr
156        strcpy( painCave.errMsg, parseErr );
157        painCave.isFatal = 1;
158        simError();
159 <    }    
159 >    }
160    }
161  
162  
163    // MPI Section of code..........
164   #else //IS_MPI
165  
166 <  int masterIndex;
167 <  int nodeAtomsStart;
143 <  int nodeAtomsEnd;
144 <  int mpiErr;
145 <  int sendError;
166 >  // first thing first, suspend fatalities.
167 >  painCave.isEventLoop = 1;
168  
169 <  MPI_Status istatus[MPI_STATUS_SIZE];
169 >  int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone
170 >  int haveError;
171 >  
172 >  MPI_Status istatus;
173 >  int *AtomToProcMap = mpiSim->getAtomToProcMap();
174  
175 +  
176 +  haveError = 0;
177    if (worldRank == 0) {
178 +
179      eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
180      if( eof_test == NULL ){
181        sprintf( painCave.errMsg,
182 <               "Error reading 1st line of %d \n ",c_in_name);
183 <      painCave.isFatal = 1;
182 >               "Error reading 1st line of %s \n ",c_in_name);
183 >      haveError = 1;
184        simError();
185      }
186      
187      n_atoms = atoi( read_buffer );
188      
160 –    Atom **atoms = entry_plug->atoms;
161 –    DirectionalAtom* dAtom;
162 –
189      // Check to see that the number of atoms in the intial configuration file is the
190      // same as declared in simBass.
191      
# Line 167 | Line 193 | void InitializeFromFile :: read_xyz( SimInfo* the_entr
193        sprintf( painCave.errMsg,
194                 "Initialize from File error. %s n_atoms, %d, "
195                 "does not match the BASS file's n_atoms, %d.\n",
196 <               c_in_name, n_atoms, entry_plug->n_atoms );
197 <      painCave.isFatal = 1;
196 >               c_in_name, n_atoms, simnfo->n_atoms );
197 >      haveError= 1;
198        simError();
199      }
200      
201 <    //read and toss the comment line
201 >    //read the boxMat from the comment line
202      
203      eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
204      if(eof_test == NULL){
205        sprintf( painCave.errMsg,
206                 "error in reading commment in %s\n", c_in_name);
207 <      painCave.isFatal = 1;
207 >      haveError = 1;
208        simError();
209      }
184 –  
185 –    // Read Proc 0 share of the xyz file...
186 –    masterIndex = 0;
187 –    for( i=0; i <= mpiSim->getMyAtomEnd(); i++){
210      
211 +    parseErr = parseBoxLine( read_buffer, boxMat, currTime );
212 +    if( parseErr != NULL ){
213 +      strcpy( painCave.errMsg, parseErr );
214 +      haveError = 1;
215 +      simError();
216 +    }
217 +
218 +    MPI_Bcast(boxMat, 9, MPI_DOUBLE, 0, MPI_COMM_WORLD );
219 +    MPI_Bcast(&currTime, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD );
220 +  
221 +    if(haveError) nodeZeroError();
222 +
223 +    for (i=0 ; i < mpiSim->getTotAtoms(); i++) {
224 +      
225        eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
226        if(eof_test == NULL){
227          sprintf(painCave.errMsg,
# Line 193 | Line 229 | void InitializeFromFile :: read_xyz( SimInfo* the_entr
229                  "natoms  = %d; index = %d\n"
230                  "error reading the line from the file.\n",
231                  c_in_name, n_atoms, i );
232 <        painCave.isFatal = 1;
232 >        haveError= 1;
233          simError();
234        }
235      
236 <      parseErr = parseDumpLine( read_buffer, i );
201 <      if( parseErr != NULL ){
202 <        strcpy( painCave.errMsg, parseErr );
203 <        painCave.isFatal = 1;
204 <        simError();
205 <      }    
206 <      masterIndex++;
207 <    }
208 <  }
236 >      if(haveError) nodeZeroError();
237  
238 <  sprintf(checkPointMsg,
239 <          "Node 0 has successfully read positions from input file.");
240 <  MPIcheckPoint();
241 <
242 <  for (procIndex = 1; procIndex < mpiSim->getNumberProcessors();
243 <         procIndex++){
244 <    if (worldRank == 0) {
245 <
246 <      mpiErr = MPI_Recv(&nodeAtomsStart,1,MPI_INT,procIndex,TAKE_THIS_TAG,MPI_COMM_WORLD,
247 <               istatus);
248 <
221 <      mpiErr = MPI_Recv(&nodeAtomsEnd,1,MPI_INT,procIndex,TAKE_THIS_TAG,MPI_COMM_WORLD,
222 <               istatus);
223 <      // Make sure where node 0 is reading from, matches where the receiving node
224 <      // expects it to be.
225 <
226 <      if (masterIndex != nodeAtomsStart){
227 <        sendError = 1;
228 <        mpiErr = MPI_Send(&sendError,1,MPI_INT,procIndex,TAKE_THIS_TAG,MPI_COMM_WORLD);
229 <        sprintf(painCave.errMsg,
230 <                "Initialize from file error: atoms start index (%d) for "
231 <                "node %d not equal to master index (%d)",nodeAtomsStart,procIndex,masterIndex );
232 <        painCave.isFatal = 1;
233 <        simError();
234 <      }
235 <      sendError = 0;
236 <      mpiErr = MPI_Send(&sendError,1,MPI_INT,procIndex,TAKE_THIS_TAG,MPI_COMM_WORLD);
238 >      // Get the Node number which wants this atom:
239 >      which_node = AtomToProcMap[i];    
240 >      if (which_node == 0) {
241 >        parseErr = parseDumpLine( read_buffer, i );
242 >        if( parseErr != NULL ){
243 >          strcpy( painCave.errMsg, parseErr );
244 >          haveError = 1;
245 >          simError();
246 >        }    
247 >        if(haveError) nodeZeroError();
248 >      }
249        
250 <      for ( i = nodeAtomsStart; i <= nodeAtomsEnd; i++){
251 <        eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
252 <        if(eof_test == NULL){
253 <          
254 <          sprintf(read_buffer,"ERROR");
255 <          mpiErr = MPI_Send(read_buffer,BUFFERSIZE,MPI_CHAR,procIndex,TAKE_THIS_TAG,MPI_COMM_WORLD);
256 <          
257 <          sprintf(painCave.errMsg,
258 <                  "error in reading file %s\n"
259 <                  "natoms  = %d; index = %d\n"
260 <                  "error reading the line from the file.\n",
249 <                  c_in_name, n_atoms, i );
250 <          painCave.isFatal = 1;
251 <          simError();
252 <        }
250 >      else {
251 >      
252 >        myStatus = 1;
253 >        MPI_Send(&myStatus, 1, MPI_INT, which_node,
254 >                 TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
255 >        MPI_Send(read_buffer, BUFFERSIZE, MPI_CHAR, which_node,
256 >                 TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD);
257 >        MPI_Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT,
258 >                 MPI_COMM_WORLD);
259 >        MPI_Recv(&myStatus, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT,
260 >                 MPI_COMM_WORLD, &istatus);
261          
262 <        mpiErr = MPI_Send(read_buffer,BUFFERSIZE,MPI_CHAR,procIndex,TAKE_THIS_TAG,MPI_COMM_WORLD);
255 <        mpiErr = MPI_Recv(&sendError,1,MPI_INT,procIndex,TAKE_THIS_TAG,MPI_COMM_WORLD,
256 <                          istatus);
257 <        if (sendError) MPIcheckPoint();
258 <
259 <        masterIndex++;
262 >        if(!myStatus) nodeZeroError();
263        }
264      }
265 +    myStatus = -1;
266 +    for (j = 0; j < mpiSim->getNumberProcessors(); j++) {      
267 +      MPI_Send( &myStatus, 1, MPI_INT, j,
268 +                TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
269 +    }
270 +    
271 +  } else {
272 +    
273 +    MPI_Bcast(boxMat, 9, MPI_DOUBLE, 0, MPI_COMM_WORLD);
274 +    MPI_Bcast(&currTime, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
275  
276 +    done = 0;
277 +    while (!done) {
278  
279 <    else if(worldRank == procIndex){
280 <      nodeAtomsStart = mpiSim->getMyAtomStart();
266 <      nodeAtomsEnd = mpiSim->getMyAtomEnd();
267 <      mpiErr = MPI_Send(&nodeAtomsStart,1,MPI_INT,0,TAKE_THIS_TAG,MPI_COMM_WORLD);
268 <      mpiErr = MPI_Send(&nodeAtomsEnd,1,MPI_INT,0,TAKE_THIS_TAG,MPI_COMM_WORLD);
279 >      MPI_Recv(&myStatus, 1, MPI_INT, 0,
280 >               TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
281        
282 <      mpiErr = MPI_Recv(&sendError,1,MPI_INT,0,TAKE_THIS_TAG,MPI_COMM_WORLD,
283 <               istatus);
284 <      if (sendError) MPIcheckPoint();
273 <
274 <      for ( i = 0; i < entry_plug->n_atoms; i++){
275 <
276 <        mpiErr = MPI_Recv(&read_buffer,BUFFERSIZE,MPI_CHAR,0,TAKE_THIS_TAG,MPI_COMM_WORLD,
277 <                          istatus);
278 <        
279 <        if(!strcmp(read_buffer, "ERROR")) MPIcheckPoint();
280 <        
281 <        parseErr = parseDumpLine( read_buffer, i );
282 <        if( parseErr != NULL ){
283 <          sendError = 1;
284 <          mpiErr = MPI_Send(&sendError,1,MPI_INT,0,TAKE_THIS_TAG,MPI_COMM_WORLD);
282 >      if(!myStatus) anonymousNodeDie();
283 >      
284 >      if(myStatus < 0) break;
285  
286 <
287 <          strcpy( painCave.errMsg, parseErr );
288 <          painCave.isFatal = 1;
289 <          simError();
290 <        }
291 <        sendError = 0;
292 <        mpiErr = MPI_Send(&sendError,1,MPI_INT,0,TAKE_THIS_TAG,MPI_COMM_WORLD);
286 >      MPI_Recv(read_buffer, BUFFERSIZE, MPI_CHAR, 0,
287 >               TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD, &istatus);
288 >      MPI_Recv(&which_atom, 1, MPI_INT, 0,
289 >               TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
290 >      
291 >      myStatus = 1;
292 >      parseErr = parseDumpLine( read_buffer, which_atom );
293 >      if( parseErr != NULL ){
294 >        strcpy( painCave.errMsg, parseErr );
295 >        myStatus = 0;;
296 >        simError();
297        }
298 +      
299 +      MPI_Send( &myStatus, 1, MPI_INT, 0,
300 +                TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
301 +      
302      }
295 –    sprintf(checkPointMsg,"Node %d received initial configuration.",procIndex);
296 –    MPIcheckPoint();
303    }
304 +    
305 + // last  thing last, enable  fatalities.
306 +  painCave.isEventLoop = 0;
307  
308 +  for(i=0;i<3;i++)
309 +    for(j=0;j<3;j++) theBoxMat3[i][j] = boxMat[3*j+i];
310 +
311 +  simnfo->setBoxM( theBoxMat3 );
312 +  simnfo->setTime( currTime );
313 +
314 +  
315   #endif
316   }
317  
318 + char* InitializeFromFile::parseDumpLine(char* readLine, int globalIndex){
319  
303 – char* InitializeFromFile::parseDumpLine(char* readLine, int atomIndex){
304 –
320    char *foo; // the pointer to the current string token
321    
322 <  double rx, ry, rz; // position place holders
323 <  double vx, vy, vz; // velocity placeholders
322 >  double pos[3]; // position place holders
323 >  double vel[3]; // velocity placeholders
324    double q[4]; // the quaternions
325    double jx, jy, jz; // angular velocity placeholders;
326    double qSqr, qLength; // needed to normalize the quaternion vector.
327    
328 <  Atom **atoms = entry_plug->atoms;
328 >  Atom **atoms = simnfo->atoms;
329    DirectionalAtom* dAtom;
330    
331 <  int n_atoms;
331 >  int n_atoms, atomIndex;
332  
333   #ifdef IS_MPI
334 +  int j;
335 +
336    n_atoms = mpiSim->getTotAtoms();
337 +  atomIndex=-1;        
338 +  for (j=0; j < mpiSim->getMyNlocal(); j++) {
339 +    if (atoms[j]->getGlobalIndex() == globalIndex) atomIndex = j;
340 +  }
341 +  if (atomIndex == -1) {
342 +    sprintf( painCave.errMsg,
343 +             "Initialize from file error. Atom at index %d "
344 +             "in file %s does not exist on processor %d .\n",
345 +             globalIndex, c_in_name, mpiSim->getMyNode() );
346 +    return strdup( painCave.errMsg );
347 +  }  
348   #else
349 <  n_atoms = entry_plug->n_atoms;
349 >  n_atoms = simnfo->n_atoms;
350 >  atomIndex = globalIndex;
351   #endif // is_mpi
352  
324 –
353    // set the string tokenizer
354    
355    foo = strtok(readLine, " ,;\t");
# Line 347 | Line 375 | char* InitializeFromFile::parseDumpLine(char* readLine
375               c_in_name, n_atoms, atomIndex );
376      return strdup( painCave.errMsg );
377    }
378 <  rx = atof( foo );
378 >  pos[0] = atof( foo );
379    
380    foo = strtok(NULL, " ,;\t");
381    if(foo == NULL){
# Line 357 | Line 385 | char* InitializeFromFile::parseDumpLine(char* readLine
385               c_in_name, n_atoms, atomIndex );
386      return strdup( painCave.errMsg );
387    }
388 <  ry = atof( foo );
388 >  pos[1] = atof( foo );
389      
390    foo = strtok(NULL, " ,;\t");
391    if(foo == NULL){
# Line 367 | Line 395 | char* InitializeFromFile::parseDumpLine(char* readLine
395               c_in_name, n_atoms, atomIndex );
396      return strdup( painCave.errMsg );
397    }
398 <  rz = atof( foo );    
398 >  pos[2] = atof( foo );    
399  
400  
401    // get the velocities
# Line 380 | Line 408 | char* InitializeFromFile::parseDumpLine(char* readLine
408               c_in_name, n_atoms, atomIndex );
409      return strdup( painCave.errMsg );
410    }
411 <  vx = atof( foo );
411 >  vel[0] = atof( foo );
412      
413    foo = strtok(NULL, " ,;\t");
414    if(foo == NULL){
# Line 390 | Line 418 | char* InitializeFromFile::parseDumpLine(char* readLine
418               c_in_name, n_atoms, atomIndex );
419      return strdup( painCave.errMsg );
420    }
421 <  vy = atof( foo );
421 >  vel[1] = atof( foo );
422      
423    foo = strtok(NULL, " ,;\t");
424    if(foo == NULL){
# Line 400 | Line 428 | char* InitializeFromFile::parseDumpLine(char* readLine
428               c_in_name, n_atoms, atomIndex );
429      return strdup( painCave.errMsg );
430    }
431 <  vz = atof( foo );
431 >  vel[2] = atof( foo );
432      
433      
434    // get the quaternions
# Line 502 | Line 530 | char* InitializeFromFile::parseDumpLine(char* readLine
530      
531    // add the positions and velocities to the atom
532      
533 <  atoms[atomIndex]->setX( rx );
534 <  atoms[atomIndex]->setY( ry );
535 <  atoms[atomIndex]->setZ( rz );
536 <    
537 <  atoms[atomIndex]->set_vx( vx );
538 <  atoms[atomIndex]->set_vy( vy );
539 <  atoms[atomIndex]->set_vz( vz );
533 >  atoms[atomIndex]->setPos( pos );
534 >  atoms[atomIndex]->setVel( vel );
535 >
536 >  return NULL;
537 > }
538 >
539 >
540 > char* InitializeFromFile::parseBoxLine(char* readLine, double boxMat[9],
541 >                                       double &time ){
542 >
543 >  char *foo; // the pointer to the current string token
544 >
545 >  // set the string tokenizer
546 >  
547 >  foo = strtok(readLine, " ,;\t");
548 >  // set the timeToken.
549 >
550 >  if(foo == NULL){
551 >    sprintf( painCave.errMsg,
552 >             "error in reading Time from %s\n",
553 >             c_in_name );
554 >    return strdup( painCave.errMsg );
555 >  }
556 >  time = atof( foo );
557 >
558 >  // get the Hx vector
559 >
560 >  foo = strtok(NULL, " ,;\t");
561 >  if(foo == NULL){
562 >    sprintf( painCave.errMsg,
563 >             "error in reading Hx[0] from %s\n",
564 >             c_in_name );
565 >    return strdup( painCave.errMsg );
566 >  }
567 >  boxMat[0] = atof( foo );
568 >  
569 >  foo = strtok(NULL, " ,;\t");
570 >  if(foo == NULL){
571 >    sprintf( painCave.errMsg,
572 >             "error in reading Hx[1] from %s\n",
573 >             c_in_name );
574 >    return strdup( painCave.errMsg );
575 >  }
576 >  boxMat[1] = atof( foo );
577 >    
578 >  foo = strtok(NULL, " ,;\t");
579 >  if(foo == NULL){
580 >    sprintf( painCave.errMsg,
581 >             "error in reading Hx[2] from %s\n",
582 >             c_in_name );
583 >    return strdup( painCave.errMsg );
584 >  }
585 >  boxMat[2] = atof( foo );    
586  
587 +  // get the Hy vector
588 +
589 +  foo = strtok(NULL, " ,;\t");
590 +  if(foo == NULL){
591 +    sprintf( painCave.errMsg,
592 +             "error in reading Hy[0] from %s\n",
593 +             c_in_name );
594 +    return strdup( painCave.errMsg );
595 +  }
596 +  boxMat[3] = atof( foo );
597 +  
598 +  foo = strtok(NULL, " ,;\t");
599 +  if(foo == NULL){
600 +    sprintf( painCave.errMsg,
601 +             "error in reading Hy[1] from %s\n",
602 +             c_in_name );
603 +    return strdup( painCave.errMsg );
604 +  }
605 +  boxMat[4] = atof( foo );
606 +    
607 +  foo = strtok(NULL, " ,;\t");
608 +  if(foo == NULL){
609 +    sprintf( painCave.errMsg,
610 +             "error in reading Hy[2] from %s\n",
611 +             c_in_name );
612 +    return strdup( painCave.errMsg );
613 +  }
614 +  boxMat[5] = atof( foo );    
615 +
616 +  // get the Hz vector
617 +
618 +  foo = strtok(NULL, " ,;\t");
619 +  if(foo == NULL){
620 +    sprintf( painCave.errMsg,
621 +             "error in reading Hz[0] from %s\n",
622 +             c_in_name );
623 +    return strdup( painCave.errMsg );
624 +  }
625 +  boxMat[6] = atof( foo );
626 +  
627 +  foo = strtok(NULL, " ,;\t");
628 +  if(foo == NULL){
629 +    sprintf( painCave.errMsg,
630 +             "error in reading Hz[1] from %s\n",
631 +             c_in_name );
632 +    return strdup( painCave.errMsg );
633 +  }
634 +  boxMat[7] = atof( foo );
635 +    
636 +  foo = strtok(NULL, " ,;\t");
637 +  if(foo == NULL){
638 +    sprintf( painCave.errMsg,
639 +             "error in reading Hz[2] from %s\n",
640 +             c_in_name );
641 +    return strdup( painCave.errMsg );
642 +  }
643 +  boxMat[8] = atof( foo );    
644 +
645    return NULL;
646   }
647 +
648 +
649 + #ifdef IS_MPI
650 +
651 + // a couple of functions to let us escape the read loop
652 +
653 + void initFile::nodeZeroError( void ){
654 +  int j, myStatus;
655 +  
656 +  myStatus = 0;
657 +  for (j = 0; j < mpiSim->getNumberProcessors(); j++) {      
658 +    MPI_Send( &myStatus, 1, MPI_INT, j,
659 +              TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
660 +  }  
661 +  
662 +
663 +  MPI_Finalize();
664 +  exit (0);
665 +  
666 + }
667 +
668 + void initFile::anonymousNodeDie( void ){
669 +
670 +  MPI_Finalize();
671 +  exit (0);
672 + }
673 +
674 + #endif //is_mpi

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