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#ifdef IS_MPI |
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#include <mpi.h> |
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#include <mpi++.h> |
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#include "mpiSimulation.hpp" |
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#define TAKE_THIS_TAG 0 |
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#endif //is_mpi |
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#include "ReadWrite.hpp" |
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#include "simError.h" |
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|
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#define GAME_OVER -1 |
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DumpWriter::DumpWriter( SimInfo* the_entry_plug ){ |
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entry_plug = the_entry_plug; |
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char tempBuffer[BUFFERSIZE]; |
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char writeLine[BUFFERSIZE]; |
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|
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int i; |
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int i, j, which_node, done, game_over, which_atom; |
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double q[4]; |
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DirectionalAtom* dAtom; |
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int nAtoms = entry_plug->n_atoms; |
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outFile.flush(); |
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|
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#else // is_mpi |
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|
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MPI::Status istatus; |
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int *AtomToProcMap = mpiSim->getAtomToProcMap(); |
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MPI_Status istatus[MPI_STATUS_SIZE]; |
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|
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// write out header and node 0's coordinates |
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|
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if( worldRank == 0 ){ |
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<< entry_plug->box_y << "\t" |
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<< entry_plug->box_z << "\n"; |
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|
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for (i = 0 ; i < mpiPlug->nAtomsGlobal; i++ ) { |
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// Get the Node number which has this molecule: |
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for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
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> |
// Get the Node number which has this atom; |
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|
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which_node = AtomToProcMap[i]; |
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|
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< |
if (which_node == mpiPlug->myNode) { |
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> |
if (which_node == mpiSim->getMyNode()) { |
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|
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sprintf( tempBuffer, |
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"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
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} else { |
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|
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MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG); |
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MPI::COMM_WORLD.Receive(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
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> |
MPI::COMM_WORLD.Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
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TAKE_THIS_TAG, istatus); |
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} |
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|
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} |
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|
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// kill everyone off: |
184 |
< |
for (j = 0; j < mpiPlug->numberProcessors; j++) { |
185 |
< |
MPI::COMM_WORLD.Send(GAME_OVER, 1, MPI_INT, j, TAKE_THIS_TAG); |
184 |
> |
game_over = -1; |
185 |
> |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
186 |
> |
MPI::COMM_WORLD.Send(&game_over, 1, MPI_INT, j, TAKE_THIS_TAG); |
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} |
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|
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} else { |
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|
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done = 0; |
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while (!done) { |
193 |
< |
MPI::COMM_WORLD.Receive(&which_atom, 1, MPI_INT, 0, |
193 |
> |
MPI::COMM_WORLD.Recv(&which_atom, 1, MPI_INT, 0, |
194 |
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TAKE_THIS_TAG, istatus); |
195 |
|
|
196 |
< |
if (which_atom == GAME_OVER) { |
196 |
> |
if (which_atom == -1) { |
197 |
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done=1; |
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continue; |
199 |
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} else { |
242 |
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} |
243 |
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|
244 |
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void DumpWriter::writeFinal(){ |
245 |
< |
|
245 |
> |
|
246 |
|
char finalName[500]; |
247 |
|
ofstream finalOut; |
248 |
+ |
|
249 |
+ |
const int BUFFERSIZE = 2000; |
250 |
+ |
char tempBuffer[BUFFERSIZE]; |
251 |
+ |
char writeLine[BUFFERSIZE]; |
252 |
+ |
|
253 |
+ |
double q[4]; |
254 |
+ |
DirectionalAtom* dAtom; |
255 |
+ |
int nAtoms = entry_plug->n_atoms; |
256 |
+ |
Atom** atoms = entry_plug->atoms; |
257 |
+ |
int i, j, which_node, done, game_over, which_atom; |
258 |
|
|
259 |
+ |
|
260 |
|
#ifdef IS_MPI |
261 |
|
if(worldRank == 0 ){ |
262 |
|
#endif // is_mpi |
290 |
|
finalOut << entry_plug->box_x << "\t" |
291 |
|
<< entry_plug->box_y << "\t" |
292 |
|
<< entry_plug->box_z << "\n"; |
293 |
< |
|
293 |
> |
|
294 |
|
for( i=0; i<nAtoms; i++ ){ |
295 |
|
|
296 |
|
sprintf( tempBuffer, |
330 |
|
|
331 |
|
#else // is_mpi |
332 |
|
|
333 |
< |
MPI_Status istatus[MPI_STATUS_SIZE]; |
334 |
< |
|
333 |
> |
MPI::Status istatus; |
334 |
> |
int *AtomToProcMap = mpiSim->getAtomToProcMap(); |
335 |
> |
|
336 |
|
// write out header and node 0's coordinates |
337 |
|
|
338 |
|
if( worldRank == 0 ){ |
342 |
|
<< entry_plug->box_y << "\t" |
343 |
|
<< entry_plug->box_z << "\n"; |
344 |
|
|
345 |
< |
for (i = 0 ; i < mpiPlug->nAtomsGlobal; i++ ) { |
345 |
> |
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
346 |
|
// Get the Node number which has this molecule: |
347 |
|
|
348 |
|
which_node = AtomToProcMap[i]; |
349 |
|
|
350 |
< |
if (which_node == mpiPlug->myNode) { |
350 |
> |
if (which_node == mpiSim->getMyNode()) { |
351 |
|
|
352 |
|
sprintf( tempBuffer, |
353 |
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
382 |
|
} else { |
383 |
|
|
384 |
|
MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG); |
385 |
< |
MPI::COMM_WORLD.Receive(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
385 |
> |
MPI::COMM_WORLD.Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
386 |
|
TAKE_THIS_TAG, istatus); |
387 |
|
} |
388 |
|
|
390 |
|
} |
391 |
|
|
392 |
|
// kill everyone off: |
393 |
< |
for (j = 0; j < mpiPlug->numberProcessors; j++) { |
394 |
< |
MPI::COMM_WORLD.Send(GAME_OVER, 1, MPI_INT, j, TAKE_THIS_TAG); |
393 |
> |
game_over = -1; |
394 |
> |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
395 |
> |
MPI::COMM_WORLD.Send(&game_over, 1, MPI_INT, j, TAKE_THIS_TAG); |
396 |
|
} |
397 |
|
|
398 |
|
} else { |
399 |
|
|
400 |
|
done = 0; |
401 |
|
while (!done) { |
402 |
< |
MPI::COMM_WORLD.Receive(&which_atom, 1, MPI_INT, 0, |
403 |
< |
TAKE_THIS_TAG, istatus); |
402 |
> |
MPI::COMM_WORLD.Recv(&which_atom, 1, MPI_INT, 0, |
403 |
> |
TAKE_THIS_TAG, istatus); |
404 |
|
|
405 |
< |
if (which_atom == GAME_OVER) { |
405 |
> |
if (which_atom == -1) { |
406 |
|
done=1; |
407 |
|
continue; |
408 |
|
} else { |