1 |
#define _LARGEFILE_SOURCE64 |
2 |
#define _FILE_OFFSET_BITS 64 |
3 |
|
4 |
#include <string.h> |
5 |
#include <iostream> |
6 |
#include <fstream> |
7 |
#include <algorithm> |
8 |
#include <utility> |
9 |
|
10 |
#ifdef IS_MPI |
11 |
#include <mpi.h> |
12 |
#include "mpiSimulation.hpp" |
13 |
|
14 |
namespace dWrite{ |
15 |
void DieDieDie( void ); |
16 |
} |
17 |
|
18 |
using namespace dWrite; |
19 |
#endif //is_mpi |
20 |
|
21 |
#include "ReadWrite.hpp" |
22 |
#include "simError.h" |
23 |
|
24 |
DumpWriter::DumpWriter( SimInfo* the_entry_plug ){ |
25 |
|
26 |
entry_plug = the_entry_plug; |
27 |
|
28 |
#ifdef IS_MPI |
29 |
if(worldRank == 0 ){ |
30 |
#endif // is_mpi |
31 |
|
32 |
dumpFile.open(entry_plug->sampleName.c_str(), ios::out | ios::trunc ); |
33 |
|
34 |
if( !dumpFile ){ |
35 |
|
36 |
sprintf( painCave.errMsg, |
37 |
"Could not open \"%s\" for dump output.\n", |
38 |
entry_plug->sampleName.c_str()); |
39 |
painCave.isFatal = 1; |
40 |
simError(); |
41 |
} |
42 |
|
43 |
#ifdef IS_MPI |
44 |
} |
45 |
|
46 |
//sort the local atoms by global index |
47 |
sortByGlobalIndex(); |
48 |
|
49 |
sprintf( checkPointMsg, |
50 |
"Sucessfully opened output file for dumping.\n"); |
51 |
MPIcheckPoint(); |
52 |
#endif // is_mpi |
53 |
} |
54 |
|
55 |
DumpWriter::~DumpWriter( ){ |
56 |
|
57 |
#ifdef IS_MPI |
58 |
if(worldRank == 0 ){ |
59 |
#endif // is_mpi |
60 |
|
61 |
dumpFile.close(); |
62 |
|
63 |
#ifdef IS_MPI |
64 |
} |
65 |
#endif // is_mpi |
66 |
} |
67 |
|
68 |
#ifdef IS_MPI |
69 |
|
70 |
/** |
71 |
* A hook function to load balancing |
72 |
*/ |
73 |
|
74 |
void DumpWriter::update(){ |
75 |
sortByGlobalIndex(); |
76 |
} |
77 |
|
78 |
/** |
79 |
* Auxiliary sorting function |
80 |
*/ |
81 |
|
82 |
bool indexSortingCriterion(const pair<int, int>& p1, const pair<int, int>& p2){ |
83 |
return p1.second < p2.second; |
84 |
} |
85 |
|
86 |
/** |
87 |
* Sorting the local index by global index |
88 |
*/ |
89 |
|
90 |
void DumpWriter::sortByGlobalIndex(){ |
91 |
Molecule* mols = entry_plug->molecules; |
92 |
indexArray.clear(); |
93 |
|
94 |
for(int i = 0; i < entry_plug->n_mol;i++) |
95 |
indexArray.push_back(make_pair(i, mols[i].getGlobalIndex())); |
96 |
|
97 |
sort(indexArray.begin(), indexArray.end(), indexSortingCriterion); |
98 |
} |
99 |
|
100 |
#endif |
101 |
|
102 |
void DumpWriter::writeDump(double currentTime){ |
103 |
|
104 |
ofstream finalOut; |
105 |
vector<ofstream*> fileStreams; |
106 |
|
107 |
#ifdef IS_MPI |
108 |
if(worldRank == 0 ){ |
109 |
#endif |
110 |
finalOut.open( entry_plug->finalName.c_str(), ios::out | ios::trunc ); |
111 |
if( !finalOut ){ |
112 |
sprintf( painCave.errMsg, |
113 |
"Could not open \"%s\" for final dump output.\n", |
114 |
entry_plug->finalName.c_str() ); |
115 |
painCave.isFatal = 1; |
116 |
simError(); |
117 |
} |
118 |
#ifdef IS_MPI |
119 |
} |
120 |
#endif // is_mpi |
121 |
|
122 |
fileStreams.push_back(&finalOut); |
123 |
fileStreams.push_back(&dumpFile); |
124 |
|
125 |
writeFrame(fileStreams, currentTime); |
126 |
|
127 |
#ifdef IS_MPI |
128 |
finalOut.close(); |
129 |
#endif |
130 |
|
131 |
} |
132 |
|
133 |
void DumpWriter::writeFinal(double currentTime){ |
134 |
|
135 |
ofstream finalOut; |
136 |
vector<ofstream*> fileStreams; |
137 |
|
138 |
#ifdef IS_MPI |
139 |
if(worldRank == 0 ){ |
140 |
#endif // is_mpi |
141 |
|
142 |
finalOut.open( entry_plug->finalName.c_str(), ios::out | ios::trunc ); |
143 |
|
144 |
if( !finalOut ){ |
145 |
sprintf( painCave.errMsg, |
146 |
"Could not open \"%s\" for final dump output.\n", |
147 |
entry_plug->finalName.c_str() ); |
148 |
painCave.isFatal = 1; |
149 |
simError(); |
150 |
} |
151 |
|
152 |
#ifdef IS_MPI |
153 |
} |
154 |
#endif // is_mpi |
155 |
|
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fileStreams.push_back(&finalOut); |
157 |
writeFrame(fileStreams, currentTime); |
158 |
|
159 |
#ifdef IS_MPI |
160 |
finalOut.close(); |
161 |
#endif |
162 |
|
163 |
} |
164 |
|
165 |
void DumpWriter::writeFrame( vector<ofstream*>& outFile, double currentTime ){ |
166 |
|
167 |
const int BUFFERSIZE = 2000; |
168 |
const int MINIBUFFERSIZE = 100; |
169 |
|
170 |
char tempBuffer[BUFFERSIZE]; |
171 |
char writeLine[BUFFERSIZE]; |
172 |
|
173 |
int i; |
174 |
unsigned int k; |
175 |
|
176 |
#ifdef IS_MPI |
177 |
|
178 |
/********************************************************************* |
179 |
* Documentation? You want DOCUMENTATION? |
180 |
* |
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* Why all the potatoes below? |
182 |
* |
183 |
* To make a long story short, the original version of DumpWriter |
184 |
* worked in the most inefficient way possible. Node 0 would |
185 |
* poke each of the node for an individual atom's formatted data |
186 |
* as node 0 worked its way down the global index. This was particularly |
187 |
* inefficient since the method blocked all processors at every atom |
188 |
* (and did it twice!). |
189 |
* |
190 |
* An intermediate version of DumpWriter could be described from Node |
191 |
* zero's perspective as follows: |
192 |
* |
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* 1) Have 100 of your friends stand in a circle. |
194 |
* 2) When you say go, have all of them start tossing potatoes at |
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* you (one at a time). |
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* 3) Catch the potatoes. |
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* |
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* It was an improvement, but MPI has buffers and caches that could |
199 |
* best be described in this analogy as "potato nets", so there's no |
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* need to block the processors atom-by-atom. |
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* |
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* This new and improved DumpWriter works in an even more efficient |
203 |
* way: |
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* |
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* 1) Have 100 of your friend stand in a circle. |
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* 2) When you say go, have them start tossing 5-pound bags of |
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* potatoes at you. |
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* 3) Once you've caught a friend's bag of potatoes, |
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* toss them a spud to let them know they can toss another bag. |
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* |
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* How's THAT for documentation? |
212 |
* |
213 |
*********************************************************************/ |
214 |
|
215 |
int *potatoes; |
216 |
int myPotato; |
217 |
|
218 |
int nProc; |
219 |
int j, which_node, done, which_atom, local_index, currentIndex; |
220 |
double atomData[13]; |
221 |
int isDirectional; |
222 |
char* atomTypeString; |
223 |
char MPIatomTypeString[MINIBUFFERSIZE]; |
224 |
int nObjects; |
225 |
int msgLen; // the length of message actually recieved at master nodes |
226 |
#endif //is_mpi |
227 |
|
228 |
double q[4], ji[3]; |
229 |
DirectionalAtom* dAtom; |
230 |
double pos[3], vel[3]; |
231 |
int nTotObjects; |
232 |
StuntDouble* sd; |
233 |
char* molName; |
234 |
vector<StuntDouble*> integrableObjects; |
235 |
vector<StuntDouble*>::iterator iter; |
236 |
nTotObjects = entry_plug->getTotIntegrableObjects(); |
237 |
#ifndef IS_MPI |
238 |
|
239 |
for(k = 0; k < outFile.size(); k++){ |
240 |
*outFile[k] << nTotObjects << "\n"; |
241 |
|
242 |
*outFile[k] << currentTime << ";\t" |
243 |
<< entry_plug->Hmat[0][0] << "\t" |
244 |
<< entry_plug->Hmat[1][0] << "\t" |
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<< entry_plug->Hmat[2][0] << ";\t" |
246 |
|
247 |
<< entry_plug->Hmat[0][1] << "\t" |
248 |
<< entry_plug->Hmat[1][1] << "\t" |
249 |
<< entry_plug->Hmat[2][1] << ";\t" |
250 |
|
251 |
<< entry_plug->Hmat[0][2] << "\t" |
252 |
<< entry_plug->Hmat[1][2] << "\t" |
253 |
<< entry_plug->Hmat[2][2] << ";"; |
254 |
|
255 |
//write out additional parameters, such as chi and eta |
256 |
*outFile[k] << entry_plug->the_integrator->getAdditionalParameters() << endl; |
257 |
} |
258 |
|
259 |
for( i=0; i< entry_plug->n_mol; i++ ){ |
260 |
|
261 |
integrableObjects = entry_plug->molecules[i].getIntegrableObjects(); |
262 |
molName = (entry_plug->compStamps[entry_plug->molecules[i].getStampID()])->getID(); |
263 |
|
264 |
for( iter = integrableObjects.begin();iter != integrableObjects.end(); ++iter){ |
265 |
sd = *iter; |
266 |
sd->getPos(pos); |
267 |
sd->getVel(vel); |
268 |
|
269 |
sprintf( tempBuffer, |
270 |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
271 |
sd->getType(), |
272 |
pos[0], |
273 |
pos[1], |
274 |
pos[2], |
275 |
vel[0], |
276 |
vel[1], |
277 |
vel[2]); |
278 |
strcpy( writeLine, tempBuffer ); |
279 |
|
280 |
if( sd->isDirectional() ){ |
281 |
|
282 |
sd->getQ( q ); |
283 |
sd->getJ( ji ); |
284 |
|
285 |
sprintf( tempBuffer, |
286 |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
287 |
q[0], |
288 |
q[1], |
289 |
q[2], |
290 |
q[3], |
291 |
ji[0], |
292 |
ji[1], |
293 |
ji[2]); |
294 |
strcat( writeLine, tempBuffer ); |
295 |
} |
296 |
else |
297 |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
298 |
|
299 |
for(k = 0; k < outFile.size(); k++) |
300 |
*outFile[k] << writeLine; |
301 |
} |
302 |
|
303 |
} |
304 |
|
305 |
#else // is_mpi |
306 |
|
307 |
/* code to find maximum tag value */ |
308 |
|
309 |
int *tagub, flag, MAXTAG; |
310 |
MPI_Attr_get(MPI_COMM_WORLD, MPI_TAG_UB, &tagub, &flag); |
311 |
if (flag) { |
312 |
MAXTAG = *tagub; |
313 |
} else { |
314 |
MAXTAG = 32767; |
315 |
} |
316 |
|
317 |
int haveError; |
318 |
|
319 |
MPI_Status istatus; |
320 |
int nCurObj; |
321 |
int *MolToProcMap = mpiSim->getMolToProcMap(); |
322 |
|
323 |
// write out header and node 0's coordinates |
324 |
|
325 |
if( worldRank == 0 ){ |
326 |
|
327 |
// Node 0 needs a list of the magic potatoes for each processor; |
328 |
|
329 |
nProc = mpiSim->getNProcessors(); |
330 |
potatoes = new int[nProc]; |
331 |
|
332 |
//write out the comment lines |
333 |
for (i = 0; i < nProc; i++) |
334 |
potatoes[i] = 0; |
335 |
|
336 |
for(k = 0; k < outFile.size(); k++){ |
337 |
*outFile[k] << nTotObjects << "\n"; |
338 |
|
339 |
*outFile[k] << currentTime << ";\t" |
340 |
<< entry_plug->Hmat[0][0] << "\t" |
341 |
<< entry_plug->Hmat[1][0] << "\t" |
342 |
<< entry_plug->Hmat[2][0] << ";\t" |
343 |
|
344 |
<< entry_plug->Hmat[0][1] << "\t" |
345 |
<< entry_plug->Hmat[1][1] << "\t" |
346 |
<< entry_plug->Hmat[2][1] << ";\t" |
347 |
|
348 |
<< entry_plug->Hmat[0][2] << "\t" |
349 |
<< entry_plug->Hmat[1][2] << "\t" |
350 |
<< entry_plug->Hmat[2][2] << ";"; |
351 |
|
352 |
*outFile[k] << entry_plug->the_integrator->getAdditionalParameters() << endl; |
353 |
} |
354 |
|
355 |
currentIndex = 0; |
356 |
|
357 |
for (i = 0 ; i < mpiSim->getNMolGlobal(); i++ ) { |
358 |
|
359 |
// Get the Node number which has this atom; |
360 |
|
361 |
which_node = MolToProcMap[i]; |
362 |
|
363 |
if (which_node != 0) { |
364 |
|
365 |
if (potatoes[which_node] + 1 >= MAXTAG) { |
366 |
// The potato was going to exceed the maximum value, |
367 |
// so wrap this processor potato back to 0: |
368 |
|
369 |
potatoes[which_node] = 0; |
370 |
MPI_Send(&potatoes[which_node], 1, MPI_INT, which_node, 0, MPI_COMM_WORLD); |
371 |
|
372 |
} |
373 |
|
374 |
myPotato = potatoes[which_node]; |
375 |
|
376 |
//recieve the number of integrableObject in current molecule |
377 |
MPI_Recv(&nCurObj, 1, MPI_INT, which_node, |
378 |
myPotato, MPI_COMM_WORLD, &istatus); |
379 |
myPotato++; |
380 |
|
381 |
for(int l = 0; l < nCurObj; l++){ |
382 |
|
383 |
if (potatoes[which_node] + 2 >= MAXTAG) { |
384 |
// The potato was going to exceed the maximum value, |
385 |
// so wrap this processor potato back to 0: |
386 |
|
387 |
potatoes[which_node] = 0; |
388 |
MPI_Send(&potatoes[which_node], 1, MPI_INT, which_node, 0, MPI_COMM_WORLD); |
389 |
|
390 |
} |
391 |
|
392 |
MPI_Recv(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, which_node, |
393 |
myPotato, MPI_COMM_WORLD, &istatus); |
394 |
|
395 |
atomTypeString = MPIatomTypeString; |
396 |
|
397 |
myPotato++; |
398 |
|
399 |
MPI_Recv(atomData, 13, MPI_DOUBLE, which_node, myPotato, MPI_COMM_WORLD, &istatus); |
400 |
myPotato++; |
401 |
|
402 |
MPI_Get_count(&istatus, MPI_DOUBLE, &msgLen); |
403 |
|
404 |
if(msgLen == 13) |
405 |
isDirectional = 1; |
406 |
else |
407 |
isDirectional = 0; |
408 |
|
409 |
// If we've survived to here, format the line: |
410 |
|
411 |
if (!isDirectional) { |
412 |
|
413 |
sprintf( writeLine, |
414 |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
415 |
atomTypeString, |
416 |
atomData[0], |
417 |
atomData[1], |
418 |
atomData[2], |
419 |
atomData[3], |
420 |
atomData[4], |
421 |
atomData[5]); |
422 |
|
423 |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
424 |
|
425 |
} |
426 |
else { |
427 |
|
428 |
sprintf( writeLine, |
429 |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
430 |
atomTypeString, |
431 |
atomData[0], |
432 |
atomData[1], |
433 |
atomData[2], |
434 |
atomData[3], |
435 |
atomData[4], |
436 |
atomData[5], |
437 |
atomData[6], |
438 |
atomData[7], |
439 |
atomData[8], |
440 |
atomData[9], |
441 |
atomData[10], |
442 |
atomData[11], |
443 |
atomData[12]); |
444 |
|
445 |
} |
446 |
|
447 |
for(k = 0; k < outFile.size(); k++) |
448 |
*outFile[k] << writeLine; |
449 |
|
450 |
}// end for(int l =0) |
451 |
potatoes[which_node] = myPotato; |
452 |
|
453 |
} |
454 |
else { |
455 |
|
456 |
haveError = 0; |
457 |
|
458 |
local_index = indexArray[currentIndex].first; |
459 |
|
460 |
integrableObjects = (entry_plug->molecules[local_index]).getIntegrableObjects(); |
461 |
|
462 |
for(iter= integrableObjects.begin(); iter != integrableObjects.end(); ++iter){ |
463 |
sd = *iter; |
464 |
atomTypeString = sd->getType(); |
465 |
|
466 |
sd->getPos(pos); |
467 |
sd->getVel(vel); |
468 |
|
469 |
atomData[0] = pos[0]; |
470 |
atomData[1] = pos[1]; |
471 |
atomData[2] = pos[2]; |
472 |
|
473 |
atomData[3] = vel[0]; |
474 |
atomData[4] = vel[1]; |
475 |
atomData[5] = vel[2]; |
476 |
|
477 |
isDirectional = 0; |
478 |
|
479 |
if( sd->isDirectional() ){ |
480 |
|
481 |
isDirectional = 1; |
482 |
|
483 |
sd->getQ( q ); |
484 |
sd->getJ( ji ); |
485 |
|
486 |
for (int j = 0; j < 6 ; j++) |
487 |
atomData[j] = atomData[j]; |
488 |
|
489 |
atomData[6] = q[0]; |
490 |
atomData[7] = q[1]; |
491 |
atomData[8] = q[2]; |
492 |
atomData[9] = q[3]; |
493 |
|
494 |
atomData[10] = ji[0]; |
495 |
atomData[11] = ji[1]; |
496 |
atomData[12] = ji[2]; |
497 |
} |
498 |
|
499 |
// If we've survived to here, format the line: |
500 |
|
501 |
if (!isDirectional) { |
502 |
|
503 |
sprintf( writeLine, |
504 |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
505 |
atomTypeString, |
506 |
atomData[0], |
507 |
atomData[1], |
508 |
atomData[2], |
509 |
atomData[3], |
510 |
atomData[4], |
511 |
atomData[5]); |
512 |
|
513 |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
514 |
|
515 |
} |
516 |
else { |
517 |
|
518 |
sprintf( writeLine, |
519 |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
520 |
atomTypeString, |
521 |
atomData[0], |
522 |
atomData[1], |
523 |
atomData[2], |
524 |
atomData[3], |
525 |
atomData[4], |
526 |
atomData[5], |
527 |
atomData[6], |
528 |
atomData[7], |
529 |
atomData[8], |
530 |
atomData[9], |
531 |
atomData[10], |
532 |
atomData[11], |
533 |
atomData[12]); |
534 |
|
535 |
} |
536 |
|
537 |
for(k = 0; k < outFile.size(); k++) |
538 |
*outFile[k] << writeLine; |
539 |
|
540 |
|
541 |
}//end for(iter = integrableObject.begin()) |
542 |
|
543 |
currentIndex++; |
544 |
} |
545 |
|
546 |
}//end for(i = 0; i < mpiSim->getNmol()) |
547 |
|
548 |
for(k = 0; k < outFile.size(); k++) |
549 |
outFile[k]->flush(); |
550 |
|
551 |
sprintf( checkPointMsg, |
552 |
"Sucessfully took a dump.\n"); |
553 |
|
554 |
MPIcheckPoint(); |
555 |
|
556 |
delete[] potatoes; |
557 |
|
558 |
} else { |
559 |
|
560 |
// worldRank != 0, so I'm a remote node. |
561 |
|
562 |
// Set my magic potato to 0: |
563 |
|
564 |
myPotato = 0; |
565 |
currentIndex = 0; |
566 |
|
567 |
for (i = 0 ; i < mpiSim->getNMolGlobal(); i++ ) { |
568 |
|
569 |
// Am I the node which has this integrableObject? |
570 |
|
571 |
if (MolToProcMap[i] == worldRank) { |
572 |
|
573 |
|
574 |
if (myPotato + 1 >= MAXTAG) { |
575 |
|
576 |
// The potato was going to exceed the maximum value, |
577 |
// so wrap this processor potato back to 0 (and block until |
578 |
// node 0 says we can go: |
579 |
|
580 |
MPI_Recv(&myPotato, 1, MPI_INT, 0, 0, MPI_COMM_WORLD, &istatus); |
581 |
|
582 |
} |
583 |
|
584 |
local_index = indexArray[currentIndex].first; |
585 |
integrableObjects = entry_plug->molecules[local_index].getIntegrableObjects(); |
586 |
|
587 |
nCurObj = integrableObjects.size(); |
588 |
|
589 |
MPI_Send(&nCurObj, 1, MPI_INT, 0, |
590 |
myPotato, MPI_COMM_WORLD); |
591 |
myPotato++; |
592 |
|
593 |
for( iter = integrableObjects.begin(); iter != integrableObjects.end(); iter++){ |
594 |
|
595 |
if (myPotato + 2 >= MAXTAG) { |
596 |
|
597 |
// The potato was going to exceed the maximum value, |
598 |
// so wrap this processor potato back to 0 (and block until |
599 |
// node 0 says we can go: |
600 |
|
601 |
MPI_Recv(&myPotato, 1, MPI_INT, 0, 0, MPI_COMM_WORLD, &istatus); |
602 |
|
603 |
} |
604 |
|
605 |
sd = *iter; |
606 |
|
607 |
atomTypeString = sd->getType(); |
608 |
|
609 |
sd->getPos(pos); |
610 |
sd->getVel(vel); |
611 |
|
612 |
atomData[0] = pos[0]; |
613 |
atomData[1] = pos[1]; |
614 |
atomData[2] = pos[2]; |
615 |
|
616 |
atomData[3] = vel[0]; |
617 |
atomData[4] = vel[1]; |
618 |
atomData[5] = vel[2]; |
619 |
|
620 |
isDirectional = 0; |
621 |
|
622 |
if( sd->isDirectional() ){ |
623 |
|
624 |
isDirectional = 1; |
625 |
|
626 |
sd->getQ( q ); |
627 |
sd->getJ( ji ); |
628 |
|
629 |
|
630 |
atomData[6] = q[0]; |
631 |
atomData[7] = q[1]; |
632 |
atomData[8] = q[2]; |
633 |
atomData[9] = q[3]; |
634 |
|
635 |
atomData[10] = ji[0]; |
636 |
atomData[11] = ji[1]; |
637 |
atomData[12] = ji[2]; |
638 |
} |
639 |
|
640 |
|
641 |
strncpy(MPIatomTypeString, atomTypeString, MINIBUFFERSIZE); |
642 |
|
643 |
// null terminate the string before sending (just in case): |
644 |
MPIatomTypeString[MINIBUFFERSIZE-1] = '\0'; |
645 |
|
646 |
MPI_Send(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, 0, |
647 |
myPotato, MPI_COMM_WORLD); |
648 |
|
649 |
myPotato++; |
650 |
|
651 |
if (isDirectional) { |
652 |
|
653 |
MPI_Send(atomData, 13, MPI_DOUBLE, 0, |
654 |
myPotato, MPI_COMM_WORLD); |
655 |
|
656 |
} else { |
657 |
|
658 |
MPI_Send(atomData, 6, MPI_DOUBLE, 0, |
659 |
myPotato, MPI_COMM_WORLD); |
660 |
} |
661 |
|
662 |
myPotato++; |
663 |
|
664 |
} |
665 |
|
666 |
currentIndex++; |
667 |
|
668 |
} |
669 |
|
670 |
} |
671 |
|
672 |
sprintf( checkPointMsg, |
673 |
"Sucessfully took a dump.\n"); |
674 |
MPIcheckPoint(); |
675 |
|
676 |
} |
677 |
|
678 |
|
679 |
|
680 |
#endif // is_mpi |
681 |
} |
682 |
|
683 |
#ifdef IS_MPI |
684 |
|
685 |
// a couple of functions to let us escape the write loop |
686 |
|
687 |
void dWrite::DieDieDie( void ){ |
688 |
|
689 |
MPI_Finalize(); |
690 |
exit (0); |
691 |
} |
692 |
|
693 |
#endif //is_mpi |