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root/group/trunk/mdtools/md_code/InitializeFromFile.cpp
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Comparing trunk/mdtools/md_code/InitializeFromFile.cpp (file contents):
Revision 209 by mmeineke, Fri Dec 13 17:59:52 2002 UTC vs.
Revision 212 by chuckv, Fri Dec 13 21:17:00 2002 UTC

# Line 133 | Line 133 | void InitializeFromFile :: read_xyz( SimInfo* the_entr
133    // MPI Section of code..........
134   #else //IS_MPI
135  
136 +  int masterIndex;
137 +  int nodeAtomsStart;
138 +  int nodeAtomsEnd;
139 +  int mpiErr;
140 +  int sendError;
141  
142 +  MPI_Status istatus[MPI_STATUS_SIZE];
143  
138 –
144    if (worldRank == 0) {
145      eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
146      if( eof_test == NULL ){
# Line 149 | Line 154 | void InitializeFromFile :: read_xyz( SimInfo* the_entr
154      
155      Atom **atoms = entry_plug->atoms;
156      DirectionalAtom* dAtom;
157 +
158 +    // Check to see that the number of atoms in the intial configuration file is the
159 +    // same as declared in simBass.
160      
161      if( n_atoms != entry_plug->mpiSim->getTotAtoms() ){
162        sprintf( painCave.errMsg,
# Line 168 | Line 176 | void InitializeFromFile :: read_xyz( SimInfo* the_entr
176        painCave.isFatal = 1;
177        simError();
178      }
179 <  }
180 <
181 <  for( i=0; i < n_atoms; i++){
179 >  
180 >    // Read Proc 0 share of the xyz file...
181 >    masterIndex = 0;
182 >    for( i=0; i <= entry_plug->mpiSim->getMyAtomEnd(); i++){
183      
184 <    eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
185 <    if(eof_test == NULL){
186 <      sprintf(painCave.errMsg,
187 <              "error in reading file %s\n"
188 <              "natoms  = %d; index = %d\n"
189 <              "error reading the line from the file.\n",
190 <              c_in_name, n_atoms, i );
191 <      painCave.isFatal = 1;
192 <      simError();
193 <    }
184 >      eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
185 >      if(eof_test == NULL){
186 >        sprintf(painCave.errMsg,
187 >                "error in reading file %s\n"
188 >                "natoms  = %d; index = %d\n"
189 >                "error reading the line from the file.\n",
190 >                c_in_name, n_atoms, i );
191 >        painCave.isFatal = 1;
192 >        simError();
193 >      }
194      
195 <    parseErr = parseDumpLine( read_buffer, i );
196 <    if( parseErr != NULL ){
197 <      strcpy( painCave.errMsg, parseErr );
198 <      painCave.isFatal = 1;
199 <      simError();
200 <    }    
195 >      parseErr = parseDumpLine( read_buffer, i );
196 >      if( parseErr != NULL ){
197 >        strcpy( painCave.errMsg, parseErr );
198 >        painCave.isFatal = 1;
199 >        simError();
200 >      }    
201 >      masterIndex++;
202 >    }
203    }
204 +
205 +  sprintf(checkPointMsg,
206 +          "Node 0 has successfully read positions from input file.");
207 +  mpiCheckPoint();
208 +
209 +  for (procIndex = 1; procIndex < entryPlug->mpiSim->getNumberProcessors();
210 +         procIndex++){
211 +    if (worldRank == 0) {
212 +
213 +      mpiErr = MPI_Recv(&nodeAtomsStart,1,MPI_INT,procIndex,MPI_ANY_TAG,MPI_COMM_WORLD,
214 +               istatus);
215 +
216 +      mpiErr = MPI_Recv(&nodeAtomsEnd,1,MPI_INT,procIndex,MPI_ANY_TAG,MPI_COMM_WORLD,
217 +               istatus);
218 +      // Make sure where node 0 is reading from, matches where the receiving node
219 +      // expects it to be.
220 +
221 +      if (masterIndex != nodeAtomsStart){
222 +        sendError = 1;
223 +        mpiErr = MPI_Send(&sendError,1,MPI_INT,procIndex,MPI_ANY_TAG,MPI_COMM_WORLD);
224 +        sprintf(painCave.errMsg,
225 +                "Initialize from file error: atoms start index (%d) for "
226 +                "node %d not equal to master index (%d)",nodeAtomsStart,procIndex,masterIndex );
227 +        painCave.isFatal = 1;
228 +        simError();
229 +      }
230 +      sendError = 0;
231 +      mpiErr = MPI_Send(&sendError,1,MPI_INT,procIndex,MPI_ANY_TAG,MPI_COMM_WORLD);
232 +      
233 +      for ( i = nodeAtomStart; i <= nodeAtomEnd, i++){
234 +        eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
235 +        if(eof_test == NULL){
236 +          
237 +          sprintf(read_buffer,"ERROR");
238 +          mpiErr = MPI_Send(read_buffer,BUFFERSIZE,MPI_CHAR,procIndex,MPI_ANY_TAG,MPI_COMM_WORLD);
239 +          
240 +          sprintf(painCave.errMsg,
241 +                  "error in reading file %s\n"
242 +                  "natoms  = %d; index = %d\n"
243 +                  "error reading the line from the file.\n",
244 +                  c_in_name, n_atoms, i );
245 +          painCave.isFatal = 1;
246 +          simError();
247 +        }
248 +        
249 +        mpiErr = MPI_Send(read_buffer,BUFFERSIZE,MPI_CHAR,procIndex,MPI_ANY_TAG,MPI_COMM_WORLD);
250 +        mpiErr = MPI_Recv(&sendError,1,MPI_INT,procIndex,MPI_ANY_TAG,MPI_COMM_WORLD,
251 +                          istatus);
252 +        if (sendError) mpiCheckpoint();
253 +
254 +        masterIndex++;
255 +      }
256 +    }
257 +
258 +
259 +    else if(worldRank == procIndex){
260 +      nodeAtomStart = entry_plug->mpiSim->getMyAtomStart();
261 +      nodeAtomEnd = entry_plug->mpiSim->getMyAtomEnd();
262 +      mpiErr = MPI_Send(&nodeAtomsStart,1,MPI_INT,0,MPI_ANY_TAG,MPI_COMM_WORLD);
263 +      mpiErr = MPI_Send(&nodeAtomsEnd,1,MPI_INT,0,MPI_ANY_TAG,MPI_COMM_WORLD);
264 +      
265 +      mpiErr = MPI_Recv(&sendError,1,MPI_INT,0,MPI_ANY_TAG,MPI_COMM_WORLD,
266 +               istatus);
267 +      if (sendError) mpiCheckpoint();
268 +
269 +      for ( i = 0; i < entry_plug->n_atoms, i++){
270 +
271 +        mpiErr = MPI_Recv(&read_buffer,BUFFERSIZE,MPI_CHAR,0,MPI_ANY_TAG,MPI_COMM_WORLD,
272 +                          istatus);
273 +        
274 +        if(!strcmp(read_buffer, "ERROR")) mpiCheckPoint();
275 +        
276 +        parseErr = parseDumpLine( read_buffer, i );
277 +        if( parseErr != NULL ){
278 +          sendError = 1;
279 +          mpiErr = MPI_Send(&sendError,1,MPI_INT,0,MPI_ANY_TAG,MPI_COMM_WORLD);
280 +
281 +
282 +          strcpy( painCave.errMsg, parseErr );
283 +          painCave.isFatal = 1;
284 +          simError();
285 +        }
286 +        sendError = 0;
287 +        mpiErr = MPI_Send(&sendError,1,MPI_INT,0,MPI_ANY_TAG,MPI_COMM_WORLD);
288 +      }
289 +    }
290 +    sprintf(checkPointMsg,"Node %d received initial configuration.",procIndex);
291 +    mpiCheckPoint();
292 +  }
293 +
294   #endif
295   }
296  

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