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 ){ |
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, |
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 |
|
|