| 212 |
|
MPI::COMM_WORLD.Send(read_buffer, BUFFERSIZE, MPI_CHAR, j, |
| 213 |
|
TAKE_THIS_TAG); |
| 214 |
|
} |
| 215 |
< |
|
| 215 |
> |
|
| 216 |
|
} else { |
| 217 |
< |
|
| 217 |
> |
|
| 218 |
|
done = 0; |
| 219 |
|
while (!done) { |
| 220 |
|
MPI::COMM_WORLD.Recv(read_buffer, BUFFERSIZE, MPI_CHAR, 0, |
| 225 |
|
} else { |
| 226 |
|
MPI::COMM_WORLD.Recv(&which_atom, 1, MPI_INT, 0, |
| 227 |
|
TAKE_THIS_TAG, istatus); |
| 228 |
+ |
|
| 229 |
|
parseErr = parseDumpLine( read_buffer, which_atom ); |
| 230 |
|
if( parseErr != NULL ){ |
| 231 |
|
strcpy( painCave.errMsg, parseErr ); |
| 239 |
|
#endif |
| 240 |
|
} |
| 241 |
|
|
| 242 |
< |
char* InitializeFromFile::parseDumpLine(char* readLine, int atomIndex){ |
| 242 |
> |
char* InitializeFromFile::parseDumpLine(char* readLine, int globalIndex){ |
| 243 |
|
|
| 244 |
|
char *foo; // the pointer to the current string token |
| 245 |
|
|
| 252 |
|
Atom **atoms = entry_plug->atoms; |
| 253 |
|
DirectionalAtom* dAtom; |
| 254 |
|
|
| 255 |
< |
int n_atoms; |
| 255 |
> |
int j, n_atoms, atomIndex; |
| 256 |
|
|
| 257 |
|
#ifdef IS_MPI |
| 258 |
|
n_atoms = mpiSim->getTotAtoms(); |
| 259 |
+ |
atomIndex=-1; |
| 260 |
+ |
for (j=0; j < mpiSim->getMyNlocal(); j++) { |
| 261 |
+ |
if (atoms[j]->getGlobalIndex() == globalIndex) atomIndex = j; |
| 262 |
+ |
} |
| 263 |
+ |
if (atomIndex == -1) { |
| 264 |
+ |
sprintf( painCave.errMsg, |
| 265 |
+ |
"Initialize from file error. Atom at index %d " |
| 266 |
+ |
"in file %s does not exist on processor %d .\n", |
| 267 |
+ |
globalIndex, c_in_name, mpiSim->getMyNode() ); |
| 268 |
+ |
return strdup( painCave.errMsg ); |
| 269 |
+ |
} |
| 270 |
|
#else |
| 271 |
|
n_atoms = entry_plug->n_atoms; |
| 272 |
+ |
atomIndex = globalIndex; |
| 273 |
|
#endif // is_mpi |
| 274 |
|
|
| 262 |
– |
|
| 275 |
|
// set the string tokenizer |
| 276 |
|
|
| 277 |
|
foo = strtok(readLine, " ,;\t"); |
