17 |
|
|
18 |
|
DumpWriter::DumpWriter( SimInfo* the_entry_plug ){ |
19 |
|
|
20 |
+ |
entry_plug = the_entry_plug; |
21 |
+ |
|
22 |
|
#ifdef IS_MPI |
23 |
|
if(worldRank == 0 ){ |
24 |
|
#endif // is_mpi |
25 |
|
|
26 |
< |
entry_plug = the_entry_plug; |
26 |
> |
|
27 |
|
|
28 |
|
strcpy( outName, entry_plug->sampleName ); |
29 |
|
|
28 |
– |
std::cerr << "Opening " << outName << " for dumping.\n"; |
29 |
– |
|
30 |
|
outFile.open(outName, ios::out | ios::trunc ); |
31 |
|
|
32 |
|
if( !outFile ){ |
86 |
|
|
87 |
|
for( i=0; i<nAtoms; i++ ){ |
88 |
|
|
89 |
+ |
|
90 |
|
sprintf( tempBuffer, |
91 |
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
92 |
|
atoms[i]->getType(), |
232 |
|
|
233 |
|
nodeAtomsStart = mpiSim->getMyAtomStart(); |
234 |
|
nodeAtomsEnd = mpiSim->getMyAtomEnd(); |
234 |
– |
|
235 |
– |
fprintf( stderr, |
236 |
– |
"node %d: myatomStart-> %d; myatomEnd-> %d\n", |
237 |
– |
worldRank, nodeAtomsStart, nodeAtomsEnd ); |
235 |
|
|
236 |
|
mpiErr = MPI_Send(&nodeAtomsStart,1,MPI_INT,0,TAKE_THIS_TAG, |
237 |
|
MPI_COMM_WORLD); |
238 |
|
mpiErr = MPI_Send(&nodeAtomsEnd,1,MPI_INT,0,TAKE_THIS_TAG, |
239 |
|
MPI_COMM_WORLD); |
240 |
|
|
244 |
– |
fprintf( stderr, "node %d: sent off the start and end\n", worldRank ); |
245 |
– |
|
241 |
|
sendError = -1; |
242 |
|
mpiErr = MPI_Recv(&sendError,1,MPI_INT,0,TAKE_THIS_TAG, |
243 |
|
MPI_COMM_WORLD, istatus); |
244 |
|
|
250 |
– |
fprintf( stderr, "node %d: value of sendError is %d\n", worldRank, sendError ); |
251 |
– |
|
245 |
|
if (sendError) MPIcheckPoint(); |
246 |
|
|
247 |
|
// send current node's configuration line by line. |
248 |
|
|
249 |
|
for( i=0; i<nAtoms; i++ ){ |
250 |
< |
|
250 |
> |
|
251 |
|
sprintf( tempBuffer, |
252 |
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
253 |
|
atoms[i]->getType(), |
256 |
|
atoms[i]->getZ(), |
257 |
|
atoms[i]->get_vx(), |
258 |
|
atoms[i]->get_vy(), |
259 |
< |
atoms[i]->get_vz()); |
259 |
> |
atoms[i]->get_vz()); // check here. |
260 |
|
strcpy( writeLine, tempBuffer ); |
261 |
|
|
262 |
|
if( atoms[i]->isDirectional() ){ |
278 |
|
else |
279 |
|
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
280 |
|
|
288 |
– |
fprintf( stderr, |
289 |
– |
"node %d: I'm sending the line:\n->%s\n", worldRank, writeLine ); |
290 |
– |
|
281 |
|
mpiErr = MPI_Send(writeLine,BUFFERSIZE,MPI_CHAR,0,TAKE_THIS_TAG, |
282 |
|
MPI_COMM_WORLD); |
283 |
|
} |
404 |
|
|
405 |
|
masterIndex = 0; |
406 |
|
|
417 |
– |
std::cerr << "about to write node 0 aztoms. nAtoms = " << nAtoms << "\n"; |
418 |
– |
|
407 |
|
for( i=0; i<nAtoms; i++ ){ |
408 |
|
|
409 |
|
sprintf( tempBuffer, |