5 |
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#ifdef IS_MPI |
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#include <mpi.h> |
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#include "mpiSimulation.hpp" |
8 |
< |
#define TAKE_THIS_TAG 0 |
8 |
> |
#define TAKE_THIS_TAG_CHAR 1 |
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> |
#define TAKE_THIS_TAG_INT 2 |
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> |
|
11 |
> |
namespace dWrite{ |
12 |
> |
void nodeZeroError( void ); |
13 |
> |
void anonymousNodeDie( void ); |
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> |
} |
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|
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using namespace dWrite; |
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#endif //is_mpi |
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|
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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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|
22 |
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DumpWriter::DumpWriter( SimInfo* the_entry_plug ){ |
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|
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entry_plug = the_entry_plug; |
27 |
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if(worldRank == 0 ){ |
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#endif // is_mpi |
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|
24 |
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|
25 |
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|
30 |
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strcpy( outName, entry_plug->sampleName ); |
31 |
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|
32 |
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outFile.open(outName, ios::out | ios::trunc ); |
39 |
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painCave.isFatal = 1; |
40 |
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simError(); |
41 |
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} |
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|
42 |
> |
|
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//outFile.setf( ios::scientific ); |
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|
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#ifdef IS_MPI |
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char tempBuffer[BUFFERSIZE]; |
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char writeLine[BUFFERSIZE]; |
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|
73 |
< |
int i; |
73 |
> |
int i, j, which_node, done, which_atom, local_index; |
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double q[4]; |
75 |
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DirectionalAtom* dAtom; |
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int nAtoms = entry_plug->n_atoms; |
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outFile << nAtoms << "\n"; |
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|
84 |
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outFile << currentTime << "\t" |
85 |
< |
<< entry_plug->box_x << "\t" |
86 |
< |
<< entry_plug->box_y << "\t" |
87 |
< |
<< entry_plug->box_z << "\n"; |
85 |
> |
<< entry_plug->Hmat[0] << "\t" |
86 |
> |
<< entry_plug->Hmat[1] << "\t" |
87 |
> |
<< entry_plug->Hmat[2] << "\t" |
88 |
> |
|
89 |
> |
<< entry_plug->Hmat[3] << "\t" |
90 |
> |
<< entry_plug->Hmat[4] << "\t" |
91 |
> |
<< entry_plug->Hmat[5] << "\t" |
92 |
> |
|
93 |
> |
<< entry_plug->Hmat[6] << "\t" |
94 |
> |
<< entry_plug->Hmat[7] << "\t" |
95 |
> |
<< entry_plug->Hmat[8] << "\n"; |
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|
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for( i=0; i<nAtoms; i++ ){ |
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|
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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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// first thing first, suspend fatalities. |
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painCave.isEventLoop = 1; |
138 |
+ |
|
139 |
+ |
int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone |
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+ |
int haveError; |
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+ |
|
142 |
+ |
MPI_Status istatus; |
143 |
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int *AtomToProcMap = mpiSim->getAtomToProcMap(); |
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|
124 |
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MPI_Status istatus[MPI_STATUS_SIZE]; |
125 |
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|
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// write out header and node 0's coordinates |
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|
147 |
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if( worldRank == 0 ){ |
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outFile << mpiSim->getTotAtoms() << "\n"; |
149 |
< |
|
149 |
> |
|
150 |
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outFile << currentTime << "\t" |
151 |
< |
<< entry_plug->box_x << "\t" |
152 |
< |
<< entry_plug->box_y << "\t" |
153 |
< |
<< entry_plug->box_z << "\n"; |
135 |
< |
|
136 |
< |
for (i = 0 ; i < mpiPlug->nAtomsGlobal; i++ ) { |
137 |
< |
// Get the Node number which has this molecule: |
151 |
> |
<< entry_plug->Hmat[0] << "\t" |
152 |
> |
<< entry_plug->Hmat[1] << "\t" |
153 |
> |
<< entry_plug->Hmat[2] << "\t" |
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|
155 |
+ |
<< entry_plug->Hmat[3] << "\t" |
156 |
+ |
<< entry_plug->Hmat[4] << "\t" |
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+ |
<< entry_plug->Hmat[5] << "\t" |
158 |
+ |
|
159 |
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<< entry_plug->Hmat[6] << "\t" |
160 |
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<< entry_plug->Hmat[7] << "\t" |
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<< entry_plug->Hmat[8] << "\n"; |
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+ |
; |
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outFile.flush(); |
164 |
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for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
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// Get the Node number which has this atom; |
166 |
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|
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which_node = AtomToProcMap[i]; |
168 |
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|
169 |
< |
if (which_node == mpiPlug->myNode) { |
142 |
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|
143 |
< |
sprintf( tempBuffer, |
144 |
< |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
145 |
< |
atoms[i]->getType(), |
146 |
< |
atoms[i]->getX(), |
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< |
atoms[i]->getY(), |
148 |
< |
atoms[i]->getZ(), |
149 |
< |
atoms[i]->get_vx(), |
150 |
< |
atoms[i]->get_vy(), |
151 |
< |
atoms[i]->get_vz()); |
152 |
< |
strcpy( writeLine, tempBuffer ); |
169 |
> |
if (which_node == 0 ) { |
170 |
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|
171 |
< |
if( atoms[i]->isDirectional() ){ |
172 |
< |
|
173 |
< |
dAtom = (DirectionalAtom *)atoms[i]; |
174 |
< |
dAtom->getQ( q ); |
175 |
< |
|
159 |
< |
sprintf( tempBuffer, |
160 |
< |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
161 |
< |
q[0], |
162 |
< |
q[1], |
163 |
< |
q[2], |
164 |
< |
q[3], |
165 |
< |
dAtom->getJx(), |
166 |
< |
dAtom->getJy(), |
167 |
< |
dAtom->getJz()); |
168 |
< |
strcat( writeLine, tempBuffer ); |
171 |
> |
haveError = 0; |
172 |
> |
which_atom = i; |
173 |
> |
local_index=-1; |
174 |
> |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
175 |
> |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
176 |
|
} |
177 |
< |
else |
178 |
< |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
179 |
< |
|
180 |
< |
} else { |
181 |
< |
|
182 |
< |
MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG); |
183 |
< |
MPI::COMM_WORLD.Receive(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
184 |
< |
TAKE_THIS_TAG, istatus); |
177 |
> |
if (local_index != -1) { |
178 |
> |
//format the line |
179 |
> |
sprintf( tempBuffer, |
180 |
> |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
181 |
> |
atoms[local_index]->getType(), |
182 |
> |
atoms[local_index]->getX(), |
183 |
> |
atoms[local_index]->getY(), |
184 |
> |
atoms[local_index]->getZ(), |
185 |
> |
atoms[local_index]->get_vx(), |
186 |
> |
atoms[local_index]->get_vy(), |
187 |
> |
atoms[local_index]->get_vz()); // check here. |
188 |
> |
strcpy( writeLine, tempBuffer ); |
189 |
> |
|
190 |
> |
if( atoms[local_index]->isDirectional() ){ |
191 |
> |
|
192 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
193 |
> |
dAtom->getQ( q ); |
194 |
> |
|
195 |
> |
sprintf( tempBuffer, |
196 |
> |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
197 |
> |
q[0], |
198 |
> |
q[1], |
199 |
> |
q[2], |
200 |
> |
q[3], |
201 |
> |
dAtom->getJx(), |
202 |
> |
dAtom->getJy(), |
203 |
> |
dAtom->getJz()); |
204 |
> |
strcat( writeLine, tempBuffer ); |
205 |
> |
|
206 |
> |
} |
207 |
> |
else |
208 |
> |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
209 |
> |
} |
210 |
> |
else { |
211 |
> |
sprintf(painCave.errMsg, |
212 |
> |
"Atom %d not found on processor %d\n", |
213 |
> |
i, worldRank ); |
214 |
> |
haveError= 1; |
215 |
> |
simError(); |
216 |
> |
} |
217 |
> |
|
218 |
> |
if(haveError) nodeZeroError(); |
219 |
> |
|
220 |
|
} |
221 |
+ |
else { |
222 |
+ |
myStatus = 1; |
223 |
+ |
MPI_Send(&myStatus, 1, MPI_INT, which_node, |
224 |
+ |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
225 |
+ |
MPI_Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT, |
226 |
+ |
MPI_COMM_WORLD); |
227 |
+ |
MPI_Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
228 |
+ |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD, &istatus); |
229 |
+ |
MPI_Recv(&myStatus, 1, MPI_INT, which_node, |
230 |
+ |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
231 |
+ |
|
232 |
+ |
if(!myStatus) nodeZeroError(); |
233 |
+ |
|
234 |
+ |
} |
235 |
|
|
236 |
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outFile << writeLine; |
237 |
+ |
outFile.flush(); |
238 |
|
} |
239 |
|
|
240 |
|
// kill everyone off: |
241 |
< |
for (j = 0; j < mpiPlug->numberProcessors; j++) { |
242 |
< |
MPI::COMM_WORLD.Send(GAME_OVER, 1, MPI_INT, j, TAKE_THIS_TAG); |
241 |
> |
myStatus = -1; |
242 |
> |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
243 |
> |
MPI_Send(&myStatus, 1, MPI_INT, j, |
244 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
245 |
|
} |
246 |
|
|
247 |
|
} else { |
248 |
|
|
249 |
|
done = 0; |
250 |
|
while (!done) { |
251 |
< |
MPI::COMM_WORLD.Receive(&which_atom, 1, MPI_INT, 0, |
252 |
< |
TAKE_THIS_TAG, istatus); |
251 |
> |
|
252 |
> |
MPI_Recv(&myStatus, 1, MPI_INT, 0, |
253 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
254 |
|
|
255 |
< |
if (which_atom == GAME_OVER) { |
256 |
< |
done=1; |
257 |
< |
continue; |
198 |
< |
} else { |
255 |
> |
if(!myStatus) anonymousNodeDie(); |
256 |
> |
|
257 |
> |
if(myStatus < 0) break; |
258 |
|
|
259 |
< |
//format the line |
259 |
> |
MPI_Recv(&which_atom, 1, MPI_INT, 0, |
260 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
261 |
> |
|
262 |
> |
myStatus = 1; |
263 |
> |
local_index=-1; |
264 |
> |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
265 |
> |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
266 |
> |
} |
267 |
> |
if (local_index != -1) { |
268 |
> |
//format the line |
269 |
|
sprintf( tempBuffer, |
270 |
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
271 |
< |
atoms[which_atom]->getType(), |
272 |
< |
atoms[which_atom]->getX(), |
273 |
< |
atoms[which_atom]->getY(), |
274 |
< |
atoms[which_atom]->getZ(), |
275 |
< |
atoms[which_atom]->get_vx(), |
276 |
< |
atoms[which_atom]->get_vy(), |
277 |
< |
atoms[which_atom]->get_vz()); // check here. |
271 |
> |
atoms[local_index]->getType(), |
272 |
> |
atoms[local_index]->getX(), |
273 |
> |
atoms[local_index]->getY(), |
274 |
> |
atoms[local_index]->getZ(), |
275 |
> |
atoms[local_index]->get_vx(), |
276 |
> |
atoms[local_index]->get_vy(), |
277 |
> |
atoms[local_index]->get_vz()); // check here. |
278 |
|
strcpy( writeLine, tempBuffer ); |
279 |
+ |
|
280 |
+ |
if( atoms[local_index]->isDirectional() ){ |
281 |
|
|
282 |
< |
if( atoms[which_atom]->isDirectional() ){ |
213 |
< |
|
214 |
< |
dAtom = (DirectionalAtom *)atoms[which_atom]; |
282 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
283 |
|
dAtom->getQ( q ); |
284 |
< |
|
284 |
> |
|
285 |
|
sprintf( tempBuffer, |
286 |
|
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
287 |
|
q[0], |
293 |
|
dAtom->getJz()); |
294 |
|
strcat( writeLine, tempBuffer ); |
295 |
|
} |
296 |
< |
else |
296 |
> |
else{ |
297 |
|
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
298 |
< |
|
299 |
< |
MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, |
300 |
< |
TAKE_THIS_TAG); |
298 |
> |
} |
299 |
> |
} |
300 |
> |
else { |
301 |
> |
sprintf(painCave.errMsg, |
302 |
> |
"Atom %d not found on processor %d\n", |
303 |
> |
which_atom, worldRank ); |
304 |
> |
myStatus = 0; |
305 |
> |
simError(); |
306 |
> |
|
307 |
> |
strcpy( writeLine, "Hello, I'm an error.\n"); |
308 |
|
} |
309 |
+ |
|
310 |
+ |
MPI_Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, |
311 |
+ |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD); |
312 |
+ |
MPI_Send( &myStatus, 1, MPI_INT, 0, |
313 |
+ |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
314 |
|
} |
315 |
|
} |
316 |
|
outFile.flush(); |
317 |
|
sprintf( checkPointMsg, |
318 |
|
"Sucessfully took a dump.\n"); |
319 |
|
MPIcheckPoint(); |
320 |
+ |
|
321 |
+ |
// last thing last, enable fatalities. |
322 |
+ |
painCave.isEventLoop = 0; |
323 |
+ |
|
324 |
|
#endif // is_mpi |
325 |
|
} |
326 |
|
|
327 |
< |
void DumpWriter::writeFinal(){ |
328 |
< |
|
327 |
> |
void DumpWriter::writeFinal(double finalTime){ |
328 |
> |
|
329 |
|
char finalName[500]; |
330 |
|
ofstream finalOut; |
331 |
+ |
|
332 |
+ |
const int BUFFERSIZE = 2000; |
333 |
+ |
char tempBuffer[BUFFERSIZE]; |
334 |
+ |
char writeLine[BUFFERSIZE]; |
335 |
+ |
|
336 |
+ |
double q[4]; |
337 |
+ |
DirectionalAtom* dAtom; |
338 |
+ |
int nAtoms = entry_plug->n_atoms; |
339 |
+ |
Atom** atoms = entry_plug->atoms; |
340 |
+ |
int i, j, which_node, done, game_over, which_atom, local_index; |
341 |
|
|
342 |
+ |
|
343 |
|
#ifdef IS_MPI |
344 |
|
if(worldRank == 0 ){ |
345 |
|
#endif // is_mpi |
370 |
|
|
371 |
|
finalOut << nAtoms << "\n"; |
372 |
|
|
373 |
< |
finalOut << entry_plug->box_x << "\t" |
374 |
< |
<< entry_plug->box_y << "\t" |
375 |
< |
<< entry_plug->box_z << "\n"; |
373 |
> |
finalOut << finalTime << "\t" |
374 |
> |
<< entry_plug->Hmat[0] << "\t" |
375 |
> |
<< entry_plug->Hmat[1] << "\t" |
376 |
> |
<< entry_plug->Hmat[2] << "\t" |
377 |
|
|
378 |
+ |
<< entry_plug->Hmat[3] << "\t" |
379 |
+ |
<< entry_plug->Hmat[4] << "\t" |
380 |
+ |
<< entry_plug->Hmat[5] << "\t" |
381 |
+ |
|
382 |
+ |
<< entry_plug->Hmat[6] << "\t" |
383 |
+ |
<< entry_plug->Hmat[7] << "\t" |
384 |
+ |
<< entry_plug->Hmat[8] << "\n"; |
385 |
+ |
|
386 |
|
for( i=0; i<nAtoms; i++ ){ |
387 |
|
|
388 |
|
sprintf( tempBuffer, |
422 |
|
|
423 |
|
#else // is_mpi |
424 |
|
|
425 |
< |
MPI_Status istatus[MPI_STATUS_SIZE]; |
426 |
< |
|
425 |
> |
// first thing first, suspend fatalities. |
426 |
> |
painCave.isEventLoop = 1; |
427 |
> |
|
428 |
> |
int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone |
429 |
> |
int haveError; |
430 |
> |
|
431 |
> |
MPI_Status istatus; |
432 |
> |
int *AtomToProcMap = mpiSim->getAtomToProcMap(); |
433 |
> |
|
434 |
|
// write out header and node 0's coordinates |
435 |
|
|
436 |
+ |
haveError = 0; |
437 |
|
if( worldRank == 0 ){ |
438 |
|
finalOut << mpiSim->getTotAtoms() << "\n"; |
439 |
|
|
440 |
< |
finalOut << entry_plug->box_x << "\t" |
441 |
< |
<< entry_plug->box_y << "\t" |
442 |
< |
<< entry_plug->box_z << "\n"; |
440 |
> |
finalOut << finalTime << "\t" |
441 |
> |
<< entry_plug->Hmat[0] << "\t" |
442 |
> |
<< entry_plug->Hmat[1] << "\t" |
443 |
> |
<< entry_plug->Hmat[2] << "\t" |
444 |
> |
|
445 |
> |
<< entry_plug->Hmat[3] << "\t" |
446 |
> |
<< entry_plug->Hmat[4] << "\t" |
447 |
> |
<< entry_plug->Hmat[5] << "\t" |
448 |
> |
|
449 |
> |
<< entry_plug->Hmat[6] << "\t" |
450 |
> |
<< entry_plug->Hmat[7] << "\t" |
451 |
> |
<< entry_plug->Hmat[8] << "\n"; |
452 |
|
|
453 |
< |
for (i = 0 ; i < mpiPlug->nAtomsGlobal; i++ ) { |
453 |
> |
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
454 |
|
// Get the Node number which has this molecule: |
455 |
|
|
456 |
|
which_node = AtomToProcMap[i]; |
457 |
|
|
458 |
< |
if (which_node == mpiPlug->myNode) { |
459 |
< |
|
460 |
< |
sprintf( tempBuffer, |
461 |
< |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
462 |
< |
atoms[i]->getType(), |
463 |
< |
atoms[i]->getX(), |
343 |
< |
atoms[i]->getY(), |
344 |
< |
atoms[i]->getZ(), |
345 |
< |
atoms[i]->get_vx(), |
346 |
< |
atoms[i]->get_vy(), |
347 |
< |
atoms[i]->get_vz()); |
348 |
< |
strcpy( writeLine, tempBuffer ); |
349 |
< |
|
350 |
< |
if( atoms[i]->isDirectional() ){ |
351 |
< |
|
352 |
< |
dAtom = (DirectionalAtom *)atoms[i]; |
353 |
< |
dAtom->getQ( q ); |
354 |
< |
|
355 |
< |
sprintf( tempBuffer, |
356 |
< |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
357 |
< |
q[0], |
358 |
< |
q[1], |
359 |
< |
q[2], |
360 |
< |
q[3], |
361 |
< |
dAtom->getJx(), |
362 |
< |
dAtom->getJy(), |
363 |
< |
dAtom->getJz()); |
364 |
< |
strcat( writeLine, tempBuffer ); |
458 |
> |
if (which_node == mpiSim->getMyNode()) { |
459 |
> |
|
460 |
> |
which_atom = i; |
461 |
> |
local_index=-1; |
462 |
> |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
463 |
> |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
464 |
|
} |
465 |
< |
else |
466 |
< |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
465 |
> |
if (local_index != -1) { |
466 |
> |
sprintf( tempBuffer, |
467 |
> |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
468 |
> |
atoms[local_index]->getType(), |
469 |
> |
atoms[local_index]->getX(), |
470 |
> |
atoms[local_index]->getY(), |
471 |
> |
atoms[local_index]->getZ(), |
472 |
> |
atoms[local_index]->get_vx(), |
473 |
> |
atoms[local_index]->get_vy(), |
474 |
> |
atoms[local_index]->get_vz()); |
475 |
> |
strcpy( writeLine, tempBuffer ); |
476 |
> |
|
477 |
> |
if( atoms[local_index]->isDirectional() ){ |
478 |
> |
|
479 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
480 |
> |
dAtom->getQ( q ); |
481 |
> |
|
482 |
> |
sprintf( tempBuffer, |
483 |
> |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
484 |
> |
q[0], |
485 |
> |
q[1], |
486 |
> |
q[2], |
487 |
> |
q[3], |
488 |
> |
dAtom->getJx(), |
489 |
> |
dAtom->getJy(), |
490 |
> |
dAtom->getJz()); |
491 |
> |
strcat( writeLine, tempBuffer ); |
492 |
> |
} |
493 |
> |
else |
494 |
> |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
495 |
> |
} |
496 |
> |
else { |
497 |
> |
sprintf(painCave.errMsg, |
498 |
> |
"Atom %d not found on processor %d\n", |
499 |
> |
i, worldRank ); |
500 |
> |
haveError= 1; |
501 |
> |
simError(); |
502 |
> |
} |
503 |
> |
|
504 |
> |
if(haveError) nodeZeroError(); |
505 |
> |
|
506 |
> |
} |
507 |
> |
else { |
508 |
|
|
509 |
< |
} else { |
510 |
< |
|
511 |
< |
MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG); |
512 |
< |
MPI::COMM_WORLD.Receive(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
513 |
< |
TAKE_THIS_TAG, istatus); |
509 |
> |
myStatus = 1; |
510 |
> |
MPI_Send(&myStatus, 1, MPI_INT, which_node, |
511 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
512 |
> |
MPI_Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT, |
513 |
> |
MPI_COMM_WORLD); |
514 |
> |
MPI_Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
515 |
> |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD, &istatus); |
516 |
> |
MPI_Recv(&myStatus, 1, MPI_INT, which_node, |
517 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
518 |
> |
|
519 |
> |
if(!myStatus) nodeZeroError(); |
520 |
|
} |
521 |
|
|
522 |
|
finalOut << writeLine; |
523 |
|
} |
524 |
|
|
525 |
|
// kill everyone off: |
526 |
< |
for (j = 0; j < mpiPlug->numberProcessors; j++) { |
527 |
< |
MPI::COMM_WORLD.Send(GAME_OVER, 1, MPI_INT, j, TAKE_THIS_TAG); |
526 |
> |
myStatus = -1; |
527 |
> |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
528 |
> |
MPI_Send(&myStatus, 1, MPI_INT, j, |
529 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
530 |
|
} |
531 |
|
|
532 |
|
} else { |
533 |
|
|
534 |
|
done = 0; |
535 |
|
while (!done) { |
388 |
– |
MPI::COMM_WORLD.Receive(&which_atom, 1, MPI_INT, 0, |
389 |
– |
TAKE_THIS_TAG, istatus); |
536 |
|
|
537 |
< |
if (which_atom == GAME_OVER) { |
538 |
< |
done=1; |
539 |
< |
continue; |
540 |
< |
} else { |
537 |
> |
MPI_Recv(&myStatus, 1, MPI_INT, 0, |
538 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
539 |
> |
|
540 |
> |
if(!myStatus) anonymousNodeDie(); |
541 |
> |
|
542 |
> |
if(myStatus < 0) break; |
543 |
> |
|
544 |
> |
MPI_Recv(&which_atom, 1, MPI_INT, 0, |
545 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
546 |
> |
|
547 |
> |
myStatus = 1; |
548 |
> |
local_index=-1; |
549 |
> |
for (j=0; j < mpiSim->getMyNlocal(); j++) { |
550 |
> |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
551 |
> |
} |
552 |
> |
if (local_index != -1) { |
553 |
|
|
554 |
< |
//format the line |
554 |
> |
//format the line |
555 |
|
sprintf( tempBuffer, |
556 |
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
557 |
< |
atoms[which_atom]->getType(), |
558 |
< |
atoms[which_atom]->getX(), |
559 |
< |
atoms[which_atom]->getY(), |
560 |
< |
atoms[which_atom]->getZ(), |
561 |
< |
atoms[which_atom]->get_vx(), |
562 |
< |
atoms[which_atom]->get_vy(), |
563 |
< |
atoms[which_atom]->get_vz()); // check here. |
557 |
> |
atoms[local_index]->getType(), |
558 |
> |
atoms[local_index]->getX(), |
559 |
> |
atoms[local_index]->getY(), |
560 |
> |
atoms[local_index]->getZ(), |
561 |
> |
atoms[local_index]->get_vx(), |
562 |
> |
atoms[local_index]->get_vy(), |
563 |
> |
atoms[local_index]->get_vz()); // check here. |
564 |
|
strcpy( writeLine, tempBuffer ); |
565 |
+ |
|
566 |
+ |
if( atoms[local_index]->isDirectional() ){ |
567 |
|
|
568 |
< |
if( atoms[which_atom]->isDirectional() ){ |
409 |
< |
|
410 |
< |
dAtom = (DirectionalAtom *)atoms[which_atom]; |
568 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
569 |
|
dAtom->getQ( q ); |
570 |
< |
|
570 |
> |
|
571 |
|
sprintf( tempBuffer, |
572 |
|
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
573 |
|
q[0], |
579 |
|
dAtom->getJz()); |
580 |
|
strcat( writeLine, tempBuffer ); |
581 |
|
} |
582 |
< |
else |
582 |
> |
else{ |
583 |
|
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
584 |
< |
|
585 |
< |
MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, |
586 |
< |
TAKE_THIS_TAG); |
584 |
> |
} |
585 |
> |
} |
586 |
> |
else { |
587 |
> |
sprintf(painCave.errMsg, |
588 |
> |
"Atom %d not found on processor %d\n", |
589 |
> |
which_atom, worldRank ); |
590 |
> |
myStatus = 0; |
591 |
> |
simError(); |
592 |
> |
|
593 |
> |
strcpy( writeLine, "Hello, I'm an error.\n"); |
594 |
|
} |
595 |
+ |
|
596 |
+ |
MPI_Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, |
597 |
+ |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD); |
598 |
+ |
MPI_Send( &myStatus, 1, MPI_INT, 0, |
599 |
+ |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
600 |
|
} |
601 |
< |
} |
601 |
> |
} |
602 |
|
finalOut.flush(); |
603 |
|
sprintf( checkPointMsg, |
604 |
|
"Sucessfully took a dump.\n"); |
605 |
|
MPIcheckPoint(); |
606 |
< |
|
606 |
> |
|
607 |
|
if( worldRank == 0 ) finalOut.close(); |
608 |
|
#endif // is_mpi |
609 |
|
} |
610 |
+ |
|
611 |
+ |
|
612 |
+ |
|
613 |
+ |
#ifdef IS_MPI |
614 |
+ |
|
615 |
+ |
// a couple of functions to let us escape the write loop |
616 |
+ |
|
617 |
+ |
void dWrite::nodeZeroError( void ){ |
618 |
+ |
int j, myStatus; |
619 |
+ |
|
620 |
+ |
myStatus = 0; |
621 |
+ |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
622 |
+ |
MPI_Send( &myStatus, 1, MPI_INT, j, |
623 |
+ |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
624 |
+ |
} |
625 |
+ |
|
626 |
+ |
|
627 |
+ |
MPI_Finalize(); |
628 |
+ |
exit (0); |
629 |
+ |
|
630 |
+ |
} |
631 |
+ |
|
632 |
+ |
void dWrite::anonymousNodeDie( void ){ |
633 |
+ |
|
634 |
+ |
MPI_Finalize(); |
635 |
+ |
exit (0); |
636 |
+ |
} |
637 |
+ |
|
638 |
+ |
#endif //is_mpi |