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#ifdef IS_MPI |
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#include <mpi.h> |
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#include "mpiSimulation.hpp" |
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< |
#define TAKE_THIS_TAG_CHAR 0 |
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< |
#define TAKE_THIS_TAG_INT 1 |
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> |
#define TAKE_THIS_TAG_CHAR 3134 |
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> |
#define TAKE_THIS_TAG_INT 3135 |
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namespace initFile{ |
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void nodeZeroError( void ); |
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int *MolToProcMap = mpiSim->getMolToProcMap(); |
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int localIndex; |
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int nCurObj; |
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+ |
int nItems; |
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nTotObjs = simnfo->getTotIntegrableObjects(); |
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haveError = 0; |
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if (worldRank == 0) { |
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simError(); |
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} |
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| 192 |
< |
nTotObjs = atoi( read_buffer ); |
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> |
nItems = atoi( read_buffer ); |
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// Check to see that the number of integrable objects in the intial configuration file is the |
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// same as declared in simBass. |
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| 197 |
< |
if( nTotObjs != simnfo->getTotIntegrableObjects()){ |
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> |
if( nTotObjs != nItems){ |
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sprintf( painCave.errMsg, |
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"Initialize from File error. %s n_atoms, %d, " |
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"does not match the BASS file's n_atoms, %d.\n", |
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//parseCommentLine |
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MPI_Bcast(read_buffer, BUFFERSIZE, MPI_CHAR, 0, MPI_COMM_WORLD); |
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parseErr = parseCommentLine( read_buffer, simnfo); |
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| 258 |
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| 259 |
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if(haveError) nodeZeroError(); |
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< |
parseDumpLine(read_buffer, integrableObjects[i]); |
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> |
parseDumpLine(read_buffer, integrableObjects[j]); |
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| 263 |
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} |
| 264 |
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else{ |
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//molecule belongs to slave nodes |
| 269 |
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| 270 |
< |
MPI_Recv(&nCurObj, 1, MPI_INT, 0, |
| 270 |
> |
MPI_Recv(&nCurObj, 1, MPI_INT, which_node, |
| 271 |
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TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
| 272 |
< |
|
| 273 |
< |
for(j=0; j < integrableObjects.size(); j++){ |
| 272 |
> |
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| 273 |
> |
for(j=0; j < nCurObj; j++){ |
| 274 |
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| 275 |
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eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file); |
| 276 |
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if(eof_test == NULL){ |
| 287 |
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| 288 |
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MPI_Send(read_buffer, BUFFERSIZE, MPI_CHAR, which_node, |
| 289 |
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TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD); |
| 290 |
< |
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| 290 |
> |
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| 291 |
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} |
| 292 |
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| 293 |
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} |
| 297 |
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} |
| 298 |
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else{ |
| 299 |
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//actions taken at slave nodes |
| 300 |
+ |
|
| 301 |
+ |
MPI_Bcast(read_buffer, BUFFERSIZE, MPI_CHAR, 0, MPI_COMM_WORLD); |
| 302 |
+ |
|
| 303 |
+ |
parseErr = parseCommentLine( read_buffer, simnfo); |
| 304 |
+ |
|
| 305 |
+ |
if( parseErr != NULL ){ |
| 306 |
+ |
strcpy( painCave.errMsg, parseErr ); |
| 307 |
+ |
haveError = 1; |
| 308 |
+ |
simError(); |
| 309 |
+ |
} |
| 310 |
+ |
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| 311 |
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for (i=0 ; i < mpiSim->getTotNmol(); i++) { |
| 312 |
|
which_node = MolToProcMap[i]; |
| 313 |
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| 326 |
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| 327 |
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nCurObj = integrableObjects.size(); |
| 328 |
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|
| 329 |
< |
MPI_Recv(&nCurObj, 1, MPI_INT, 0, |
| 330 |
< |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
| 329 |
> |
MPI_Send(&nCurObj, 1, MPI_INT, 0, |
| 330 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
| 331 |
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| 332 |
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for(j = 0; j < integrableObjects.size(); j++){ |
| 333 |
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| 631 |
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| 632 |
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//push eta into SimInfo::properties which can be |
| 633 |
|
//retrieved by integrator later |
| 634 |
< |
//entry_plug->setBoxM( theBoxMat3 ); |
| 634 |
> |
|
| 635 |
|
DoubleArrayData* etaValue = new DoubleArrayData(); |
| 636 |
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etaValue->setID(ETAVALUE_ID); |
| 637 |
|
etaValue->setData(eta, 9); |
| 649 |
|
int j, myStatus; |
| 650 |
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|
| 651 |
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myStatus = 0; |
| 652 |
< |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
| 652 |
> |
for (j = 0; j < mpiSim->getNprocessors(); j++) { |
| 653 |
|
MPI_Send( &myStatus, 1, MPI_INT, j, |
| 654 |
|
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
| 655 |
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} |
