1 |
mmeineke |
723 |
#define _FILE_OFFSET_BITS 64 |
2 |
|
|
|
3 |
gezelter |
829 |
#include <string.h> |
4 |
mmeineke |
377 |
#include <iostream> |
5 |
|
|
#include <fstream> |
6 |
|
|
|
7 |
|
|
#ifdef IS_MPI |
8 |
|
|
#include <mpi.h> |
9 |
|
|
#include "mpiSimulation.hpp" |
10 |
mmeineke |
440 |
|
11 |
|
|
namespace dWrite{ |
12 |
gezelter |
907 |
void DieDieDie( void ); |
13 |
mmeineke |
440 |
} |
14 |
|
|
|
15 |
|
|
using namespace dWrite; |
16 |
mmeineke |
377 |
#endif //is_mpi |
17 |
|
|
|
18 |
|
|
#include "ReadWrite.hpp" |
19 |
|
|
#include "simError.h" |
20 |
|
|
|
21 |
|
|
DumpWriter::DumpWriter( SimInfo* the_entry_plug ){ |
22 |
|
|
|
23 |
|
|
entry_plug = the_entry_plug; |
24 |
|
|
|
25 |
|
|
#ifdef IS_MPI |
26 |
|
|
if(worldRank == 0 ){ |
27 |
|
|
#endif // is_mpi |
28 |
tim |
837 |
|
29 |
mmeineke |
377 |
strcpy( outName, entry_plug->sampleName ); |
30 |
tim |
837 |
|
31 |
mmeineke |
377 |
outFile.open(outName, ios::out | ios::trunc ); |
32 |
tim |
837 |
|
33 |
mmeineke |
377 |
if( !outFile ){ |
34 |
tim |
837 |
|
35 |
mmeineke |
377 |
sprintf( painCave.errMsg, |
36 |
|
|
"Could not open \"%s\" for dump output.\n", |
37 |
|
|
outName); |
38 |
|
|
painCave.isFatal = 1; |
39 |
|
|
simError(); |
40 |
|
|
} |
41 |
mmeineke |
469 |
|
42 |
mmeineke |
377 |
//outFile.setf( ios::scientific ); |
43 |
|
|
|
44 |
|
|
#ifdef IS_MPI |
45 |
|
|
} |
46 |
|
|
|
47 |
|
|
sprintf( checkPointMsg, |
48 |
|
|
"Sucessfully opened output file for dumping.\n"); |
49 |
|
|
MPIcheckPoint(); |
50 |
|
|
#endif // is_mpi |
51 |
|
|
} |
52 |
|
|
|
53 |
|
|
DumpWriter::~DumpWriter( ){ |
54 |
|
|
|
55 |
|
|
#ifdef IS_MPI |
56 |
|
|
if(worldRank == 0 ){ |
57 |
|
|
#endif // is_mpi |
58 |
|
|
|
59 |
|
|
outFile.close(); |
60 |
|
|
|
61 |
|
|
#ifdef IS_MPI |
62 |
|
|
} |
63 |
|
|
#endif // is_mpi |
64 |
|
|
} |
65 |
|
|
|
66 |
|
|
void DumpWriter::writeDump( double currentTime ){ |
67 |
tim |
837 |
|
68 |
mmeineke |
377 |
const int BUFFERSIZE = 2000; |
69 |
gezelter |
912 |
const int MINIBUFFERSIZE = 100; |
70 |
gezelter |
907 |
|
71 |
mmeineke |
377 |
char tempBuffer[BUFFERSIZE]; |
72 |
|
|
char writeLine[BUFFERSIZE]; |
73 |
|
|
|
74 |
mmeineke |
787 |
int i; |
75 |
gezelter |
916 |
|
76 |
mmeineke |
787 |
#ifdef IS_MPI |
77 |
gezelter |
916 |
|
78 |
|
|
int *potatoes; |
79 |
|
|
int myPotato; |
80 |
|
|
|
81 |
|
|
int nProc; |
82 |
mmeineke |
787 |
int j, which_node, done, which_atom, local_index; |
83 |
gezelter |
916 |
double atomData6[6]; |
84 |
|
|
double atomData13[13]; |
85 |
gezelter |
907 |
int isDirectional; |
86 |
|
|
char* atomTypeString; |
87 |
gezelter |
910 |
char MPIatomTypeString[MINIBUFFERSIZE]; |
88 |
gezelter |
916 |
|
89 |
mmeineke |
787 |
#else //is_mpi |
90 |
|
|
int nAtoms = entry_plug->n_atoms; |
91 |
|
|
#endif //is_mpi |
92 |
|
|
|
93 |
mmeineke |
377 |
double q[4]; |
94 |
|
|
DirectionalAtom* dAtom; |
95 |
|
|
Atom** atoms = entry_plug->atoms; |
96 |
mmeineke |
670 |
double pos[3], vel[3]; |
97 |
tim |
837 |
|
98 |
mmeineke |
804 |
// write current frame to the eor file |
99 |
mmeineke |
377 |
|
100 |
mmeineke |
804 |
this->writeFinal( currentTime ); |
101 |
|
|
|
102 |
mmeineke |
377 |
#ifndef IS_MPI |
103 |
tim |
837 |
|
104 |
mmeineke |
377 |
outFile << nAtoms << "\n"; |
105 |
tim |
837 |
|
106 |
|
|
outFile << currentTime << ";\t" |
107 |
mmeineke |
590 |
<< entry_plug->Hmat[0][0] << "\t" |
108 |
|
|
<< entry_plug->Hmat[1][0] << "\t" |
109 |
|
|
<< entry_plug->Hmat[2][0] << ";\t" |
110 |
mmeineke |
572 |
|
111 |
mmeineke |
590 |
<< entry_plug->Hmat[0][1] << "\t" |
112 |
|
|
<< entry_plug->Hmat[1][1] << "\t" |
113 |
|
|
<< entry_plug->Hmat[2][1] << ";\t" |
114 |
mmeineke |
572 |
|
115 |
mmeineke |
590 |
<< entry_plug->Hmat[0][2] << "\t" |
116 |
|
|
<< entry_plug->Hmat[1][2] << "\t" |
117 |
tim |
837 |
<< entry_plug->Hmat[2][2] << ";"; |
118 |
|
|
//write out additional parameters, such as chi and eta |
119 |
|
|
outFile << entry_plug->the_integrator->getAdditionalParameters(); |
120 |
|
|
outFile << endl; |
121 |
|
|
|
122 |
mmeineke |
377 |
for( i=0; i<nAtoms; i++ ){ |
123 |
tim |
837 |
|
124 |
mmeineke |
670 |
atoms[i]->getPos(pos); |
125 |
|
|
atoms[i]->getVel(vel); |
126 |
mmeineke |
377 |
|
127 |
|
|
sprintf( tempBuffer, |
128 |
|
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
129 |
|
|
atoms[i]->getType(), |
130 |
mmeineke |
670 |
pos[0], |
131 |
|
|
pos[1], |
132 |
|
|
pos[2], |
133 |
|
|
vel[0], |
134 |
|
|
vel[1], |
135 |
|
|
vel[2]); |
136 |
mmeineke |
377 |
strcpy( writeLine, tempBuffer ); |
137 |
|
|
|
138 |
|
|
if( atoms[i]->isDirectional() ){ |
139 |
tim |
837 |
|
140 |
mmeineke |
377 |
dAtom = (DirectionalAtom *)atoms[i]; |
141 |
|
|
dAtom->getQ( q ); |
142 |
tim |
837 |
|
143 |
mmeineke |
377 |
sprintf( tempBuffer, |
144 |
|
|
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
145 |
|
|
q[0], |
146 |
|
|
q[1], |
147 |
|
|
q[2], |
148 |
|
|
q[3], |
149 |
|
|
dAtom->getJx(), |
150 |
|
|
dAtom->getJy(), |
151 |
|
|
dAtom->getJz()); |
152 |
|
|
strcat( writeLine, tempBuffer ); |
153 |
|
|
} |
154 |
|
|
else |
155 |
|
|
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
156 |
tim |
837 |
|
157 |
mmeineke |
377 |
outFile << writeLine; |
158 |
|
|
} |
159 |
|
|
outFile.flush(); |
160 |
|
|
|
161 |
|
|
#else // is_mpi |
162 |
gezelter |
416 |
|
163 |
tim |
919 |
cout << "master" <<endl; |
164 |
chuckv |
913 |
/* code to find maximum tag value */ |
165 |
tim |
919 |
|
166 |
|
|
int tagub, flag, MAXTAG; |
167 |
chuckv |
913 |
MPI_Attr_get(MPI_COMM_WORLD, MPI_TAG_UB, &tagub, &flag); |
168 |
|
|
if (flag) { |
169 |
tim |
919 |
MAXTAG = tagub; |
170 |
chuckv |
913 |
} else { |
171 |
|
|
MAXTAG = 32767; |
172 |
gezelter |
916 |
} |
173 |
mmeineke |
440 |
|
174 |
|
|
int haveError; |
175 |
|
|
|
176 |
mmeineke |
447 |
MPI_Status istatus; |
177 |
gezelter |
416 |
int *AtomToProcMap = mpiSim->getAtomToProcMap(); |
178 |
tim |
837 |
|
179 |
mmeineke |
377 |
// write out header and node 0's coordinates |
180 |
tim |
837 |
|
181 |
mmeineke |
377 |
if( worldRank == 0 ){ |
182 |
gezelter |
916 |
|
183 |
|
|
// Node 0 needs a list of the magic potatoes for each processor; |
184 |
|
|
|
185 |
|
|
nProc = mpiSim->getNumberProcessors(); |
186 |
|
|
potatoes = new int[nProc]; |
187 |
|
|
|
188 |
|
|
for (i = 0; i < nProc; i++) |
189 |
|
|
potatoes[i] = 0; |
190 |
|
|
|
191 |
mmeineke |
377 |
outFile << mpiSim->getTotAtoms() << "\n"; |
192 |
tim |
837 |
|
193 |
|
|
outFile << currentTime << ";\t" |
194 |
gezelter |
591 |
<< entry_plug->Hmat[0][0] << "\t" |
195 |
|
|
<< entry_plug->Hmat[1][0] << "\t" |
196 |
|
|
<< entry_plug->Hmat[2][0] << ";\t" |
197 |
tim |
837 |
|
198 |
gezelter |
591 |
<< entry_plug->Hmat[0][1] << "\t" |
199 |
|
|
<< entry_plug->Hmat[1][1] << "\t" |
200 |
|
|
<< entry_plug->Hmat[2][1] << ";\t" |
201 |
tim |
837 |
|
202 |
gezelter |
591 |
<< entry_plug->Hmat[0][2] << "\t" |
203 |
|
|
<< entry_plug->Hmat[1][2] << "\t" |
204 |
tim |
837 |
<< entry_plug->Hmat[2][2] << ";"; |
205 |
|
|
|
206 |
|
|
outFile << entry_plug->the_integrator->getAdditionalParameters(); |
207 |
|
|
outFile << endl; |
208 |
chuckv |
434 |
outFile.flush(); |
209 |
chuckv |
913 |
|
210 |
gezelter |
416 |
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
211 |
chuckv |
913 |
|
212 |
gezelter |
417 |
// Get the Node number which has this atom; |
213 |
chuckv |
913 |
|
214 |
tim |
837 |
which_node = AtomToProcMap[i]; |
215 |
chuckv |
913 |
|
216 |
gezelter |
907 |
if (which_node != 0) { |
217 |
gezelter |
916 |
|
218 |
|
|
if (potatoes[which_node] + 3 >= MAXTAG) { |
219 |
|
|
// The potato was going to exceed the maximum value, |
220 |
|
|
// so wrap this processor potato back to 0: |
221 |
|
|
|
222 |
|
|
potatoes[which_node] = 0; |
223 |
|
|
MPI_Send(0, 1, MPI_INT, which_node, 0, MPI_COMM_WORLD); |
224 |
|
|
|
225 |
|
|
} |
226 |
|
|
|
227 |
|
|
myPotato = potatoes[which_node]; |
228 |
gezelter |
907 |
|
229 |
gezelter |
910 |
MPI_Recv(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, which_node, |
230 |
gezelter |
916 |
myPotato, MPI_COMM_WORLD, &istatus); |
231 |
gezelter |
907 |
|
232 |
gezelter |
910 |
strncpy(atomTypeString, MPIatomTypeString, MINIBUFFERSIZE); |
233 |
gezelter |
912 |
|
234 |
|
|
// Null terminate the atomTypeString just in case: |
235 |
gezelter |
910 |
|
236 |
gezelter |
912 |
atomTypeString[strlen(atomTypeString) - 1] = '\0'; |
237 |
|
|
|
238 |
gezelter |
916 |
myPotato++; |
239 |
|
|
|
240 |
gezelter |
907 |
MPI_Recv(&isDirectional, 1, MPI_INT, which_node, |
241 |
gezelter |
916 |
myPotato, MPI_COMM_WORLD, &istatus); |
242 |
|
|
|
243 |
|
|
myPotato++; |
244 |
gezelter |
907 |
|
245 |
gezelter |
916 |
if (isDirectional) { |
246 |
|
|
MPI_Recv(atomData13, 13, MPI_DOUBLE, which_node, |
247 |
|
|
myPotato, MPI_COMM_WORLD, &istatus); |
248 |
|
|
} else { |
249 |
|
|
MPI_Recv(atomData6, 6, MPI_DOUBLE, which_node, |
250 |
|
|
myPotato, MPI_COMM_WORLD, &istatus); |
251 |
gezelter |
907 |
} |
252 |
gezelter |
916 |
|
253 |
|
|
myPotato++; |
254 |
|
|
potatoes[which_node] = myPotato; |
255 |
gezelter |
907 |
|
256 |
|
|
} else { |
257 |
|
|
|
258 |
mmeineke |
440 |
haveError = 0; |
259 |
chuckv |
436 |
which_atom = i; |
260 |
tim |
837 |
local_index=-1; |
261 |
gezelter |
916 |
|
262 |
chuckv |
436 |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
263 |
|
|
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
264 |
|
|
} |
265 |
gezelter |
916 |
|
266 |
chuckv |
436 |
if (local_index != -1) { |
267 |
gezelter |
916 |
|
268 |
gezelter |
907 |
atomTypeString = atoms[local_index]->getType(); |
269 |
|
|
|
270 |
mmeineke |
670 |
atoms[local_index]->getPos(pos); |
271 |
gezelter |
916 |
atoms[local_index]->getVel(vel); |
272 |
mmeineke |
670 |
|
273 |
gezelter |
916 |
atomData6[0] = pos[0]; |
274 |
|
|
atomData6[1] = pos[1]; |
275 |
|
|
atomData6[2] = pos[2]; |
276 |
tim |
837 |
|
277 |
gezelter |
916 |
atomData6[3] = vel[0]; |
278 |
|
|
atomData6[4] = vel[1]; |
279 |
|
|
atomData6[5] = vel[2]; |
280 |
gezelter |
907 |
|
281 |
|
|
isDirectional = 0; |
282 |
|
|
|
283 |
chuckv |
436 |
if( atoms[local_index]->isDirectional() ){ |
284 |
tim |
837 |
|
285 |
gezelter |
907 |
isDirectional = 1; |
286 |
|
|
|
287 |
chuckv |
436 |
dAtom = (DirectionalAtom *)atoms[local_index]; |
288 |
|
|
dAtom->getQ( q ); |
289 |
gezelter |
916 |
|
290 |
|
|
for (int j = 0; j < 6 ; j++) |
291 |
|
|
atomData13[j] = atomData6[j]; |
292 |
gezelter |
907 |
|
293 |
gezelter |
916 |
atomData13[6] = q[0]; |
294 |
|
|
atomData13[7] = q[1]; |
295 |
|
|
atomData13[8] = q[2]; |
296 |
|
|
atomData13[9] = q[3]; |
297 |
|
|
|
298 |
|
|
atomData13[10] = dAtom->getJx(); |
299 |
|
|
atomData13[11] = dAtom->getJy(); |
300 |
|
|
atomData13[12] = dAtom->getJz(); |
301 |
gezelter |
907 |
} |
302 |
gezelter |
916 |
|
303 |
gezelter |
907 |
} else { |
304 |
mmeineke |
440 |
sprintf(painCave.errMsg, |
305 |
|
|
"Atom %d not found on processor %d\n", |
306 |
|
|
i, worldRank ); |
307 |
|
|
haveError= 1; |
308 |
|
|
simError(); |
309 |
tim |
837 |
} |
310 |
gezelter |
916 |
|
311 |
gezelter |
907 |
if(haveError) DieDieDie(); |
312 |
gezelter |
916 |
|
313 |
gezelter |
907 |
// If we've survived to here, format the line: |
314 |
|
|
|
315 |
gezelter |
916 |
if (!isDirectional) { |
316 |
mmeineke |
440 |
|
317 |
gezelter |
916 |
sprintf( tempBuffer, |
318 |
|
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
319 |
|
|
atomTypeString, |
320 |
|
|
atomData6[0], |
321 |
|
|
atomData6[1], |
322 |
|
|
atomData6[2], |
323 |
|
|
atomData6[3], |
324 |
|
|
atomData6[4], |
325 |
|
|
atomData6[5]); |
326 |
|
|
|
327 |
|
|
strcpy( writeLine, tempBuffer ); |
328 |
|
|
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
329 |
tim |
837 |
|
330 |
gezelter |
916 |
} else { |
331 |
|
|
|
332 |
gezelter |
907 |
sprintf( tempBuffer, |
333 |
gezelter |
916 |
"%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", |
334 |
|
|
atomTypeString, |
335 |
|
|
atomData13[0], |
336 |
|
|
atomData13[1], |
337 |
|
|
atomData13[2], |
338 |
|
|
atomData13[3], |
339 |
|
|
atomData13[4], |
340 |
|
|
atomData13[5], |
341 |
|
|
atomData13[6], |
342 |
|
|
atomData13[7], |
343 |
|
|
atomData13[8], |
344 |
|
|
atomData13[9], |
345 |
|
|
atomData13[10], |
346 |
|
|
atomData13[11], |
347 |
|
|
atomData13[12]); |
348 |
|
|
|
349 |
gezelter |
907 |
strcat( writeLine, tempBuffer ); |
350 |
gezelter |
916 |
|
351 |
gezelter |
907 |
} |
352 |
gezelter |
916 |
|
353 |
gezelter |
907 |
outFile << writeLine; |
354 |
|
|
outFile.flush(); |
355 |
|
|
} |
356 |
mmeineke |
377 |
} |
357 |
|
|
|
358 |
gezelter |
907 |
outFile.flush(); |
359 |
|
|
sprintf( checkPointMsg, |
360 |
|
|
"Sucessfully took a dump.\n"); |
361 |
|
|
MPIcheckPoint(); |
362 |
tim |
919 |
delete[] potatoes; |
363 |
gezelter |
415 |
} else { |
364 |
tim |
837 |
|
365 |
gezelter |
907 |
// worldRank != 0, so I'm a remote node. |
366 |
gezelter |
916 |
|
367 |
|
|
// Set my magic potato to 0: |
368 |
|
|
|
369 |
|
|
myPotato = 0; |
370 |
gezelter |
907 |
|
371 |
|
|
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
372 |
|
|
|
373 |
|
|
// Am I the node which has this atom? |
374 |
|
|
|
375 |
|
|
if (AtomToProcMap[i] == worldRank) { |
376 |
tim |
837 |
|
377 |
gezelter |
916 |
if (myPotato + 3 >= MAXTAG) { |
378 |
|
|
|
379 |
|
|
// The potato was going to exceed the maximum value, |
380 |
|
|
// so wrap this processor potato back to 0 (and block until |
381 |
|
|
// node 0 says we can go: |
382 |
|
|
|
383 |
|
|
MPI_Recv(&myPotato, 1, MPI_INT, 0, 0, MPI_COMM_WORLD, &istatus); |
384 |
|
|
|
385 |
|
|
} |
386 |
tim |
919 |
which_atom = i; |
387 |
|
|
local_index=-1; |
388 |
gezelter |
907 |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
389 |
|
|
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
390 |
|
|
} |
391 |
|
|
if (local_index != -1) { |
392 |
|
|
|
393 |
|
|
atomTypeString = atoms[local_index]->getType(); |
394 |
mmeineke |
440 |
|
395 |
gezelter |
907 |
atoms[local_index]->getPos(pos); |
396 |
|
|
atoms[local_index]->getVel(vel); |
397 |
tim |
837 |
|
398 |
gezelter |
916 |
atomData6[0] = pos[0]; |
399 |
|
|
atomData6[1] = pos[1]; |
400 |
|
|
atomData6[2] = pos[2]; |
401 |
mmeineke |
440 |
|
402 |
gezelter |
916 |
atomData6[3] = vel[0]; |
403 |
|
|
atomData6[4] = vel[1]; |
404 |
|
|
atomData6[5] = vel[2]; |
405 |
gezelter |
907 |
|
406 |
|
|
isDirectional = 0; |
407 |
tim |
837 |
|
408 |
gezelter |
907 |
if( atoms[local_index]->isDirectional() ){ |
409 |
mmeineke |
670 |
|
410 |
gezelter |
907 |
isDirectional = 1; |
411 |
|
|
|
412 |
|
|
dAtom = (DirectionalAtom *)atoms[local_index]; |
413 |
|
|
dAtom->getQ( q ); |
414 |
|
|
|
415 |
gezelter |
916 |
for (int j = 0; j < 6 ; j++) |
416 |
|
|
atomData13[j] = atomData6[j]; |
417 |
|
|
|
418 |
|
|
atomData13[6] = q[0]; |
419 |
|
|
atomData13[7] = q[1]; |
420 |
|
|
atomData13[8] = q[2]; |
421 |
|
|
atomData13[9] = q[3]; |
422 |
mmeineke |
670 |
|
423 |
gezelter |
916 |
atomData13[10] = dAtom->getJx(); |
424 |
|
|
atomData13[11] = dAtom->getJy(); |
425 |
|
|
atomData13[12] = dAtom->getJz(); |
426 |
gezelter |
907 |
} |
427 |
tim |
837 |
|
428 |
gezelter |
907 |
} else { |
429 |
|
|
sprintf(painCave.errMsg, |
430 |
|
|
"Atom %d not found on processor %d\n", |
431 |
|
|
i, worldRank ); |
432 |
|
|
haveError= 1; |
433 |
|
|
simError(); |
434 |
|
|
} |
435 |
tim |
837 |
|
436 |
gezelter |
910 |
strncpy(MPIatomTypeString, atomTypeString, MINIBUFFERSIZE); |
437 |
|
|
|
438 |
gezelter |
912 |
// null terminate the string before sending (just in case): |
439 |
|
|
MPIatomTypeString[MINIBUFFERSIZE-1] = '\0'; |
440 |
|
|
|
441 |
gezelter |
910 |
MPI_Send(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, 0, |
442 |
gezelter |
916 |
myPotato, MPI_COMM_WORLD); |
443 |
gezelter |
907 |
|
444 |
gezelter |
916 |
myPotato++; |
445 |
|
|
|
446 |
gezelter |
907 |
MPI_Send(&isDirectional, 1, MPI_INT, 0, |
447 |
gezelter |
916 |
myPotato, MPI_COMM_WORLD); |
448 |
gezelter |
907 |
|
449 |
gezelter |
916 |
myPotato++; |
450 |
|
|
|
451 |
gezelter |
907 |
if (isDirectional) { |
452 |
|
|
|
453 |
gezelter |
916 |
MPI_Send(atomData13, 13, MPI_DOUBLE, 0, |
454 |
|
|
myPotato, MPI_COMM_WORLD); |
455 |
gezelter |
907 |
|
456 |
gezelter |
916 |
} else { |
457 |
|
|
|
458 |
|
|
MPI_Send(atomData6, 6, MPI_DOUBLE, 0, |
459 |
|
|
myPotato, MPI_COMM_WORLD); |
460 |
gezelter |
907 |
} |
461 |
gezelter |
916 |
|
462 |
|
|
myPotato++; |
463 |
mmeineke |
377 |
} |
464 |
gezelter |
907 |
} |
465 |
mmeineke |
440 |
|
466 |
gezelter |
907 |
sprintf( checkPointMsg, |
467 |
|
|
"Sucessfully took a dump.\n"); |
468 |
|
|
MPIcheckPoint(); |
469 |
|
|
|
470 |
gezelter |
916 |
} |
471 |
gezelter |
907 |
|
472 |
mmeineke |
377 |
#endif // is_mpi |
473 |
|
|
} |
474 |
|
|
|
475 |
mmeineke |
572 |
void DumpWriter::writeFinal(double finalTime){ |
476 |
gezelter |
416 |
|
477 |
mmeineke |
377 |
char finalName[500]; |
478 |
|
|
ofstream finalOut; |
479 |
gezelter |
416 |
|
480 |
|
|
const int BUFFERSIZE = 2000; |
481 |
gezelter |
912 |
const int MINIBUFFERSIZE = 100; |
482 |
gezelter |
416 |
char tempBuffer[BUFFERSIZE]; |
483 |
tim |
837 |
char writeLine[BUFFERSIZE]; |
484 |
gezelter |
416 |
|
485 |
|
|
double q[4]; |
486 |
|
|
DirectionalAtom* dAtom; |
487 |
mmeineke |
787 |
Atom** atoms = entry_plug->atoms; |
488 |
|
|
int i; |
489 |
|
|
#ifdef IS_MPI |
490 |
gezelter |
916 |
|
491 |
|
|
int *potatoes; |
492 |
|
|
int myPotato; |
493 |
|
|
|
494 |
|
|
int nProc; |
495 |
mmeineke |
787 |
int j, which_node, done, which_atom, local_index; |
496 |
gezelter |
916 |
double atomData6[6]; |
497 |
|
|
double atomData13[13]; |
498 |
gezelter |
907 |
int isDirectional; |
499 |
|
|
char* atomTypeString; |
500 |
gezelter |
910 |
char MPIatomTypeString[MINIBUFFERSIZE]; |
501 |
gezelter |
916 |
|
502 |
mmeineke |
787 |
#else //is_mpi |
503 |
gezelter |
416 |
int nAtoms = entry_plug->n_atoms; |
504 |
mmeineke |
787 |
#endif //is_mpi |
505 |
tim |
837 |
|
506 |
mmeineke |
670 |
double pos[3], vel[3]; |
507 |
tim |
837 |
|
508 |
mmeineke |
377 |
#ifdef IS_MPI |
509 |
|
|
if(worldRank == 0 ){ |
510 |
|
|
#endif // is_mpi |
511 |
tim |
837 |
|
512 |
mmeineke |
377 |
strcpy( finalName, entry_plug->finalName ); |
513 |
tim |
837 |
|
514 |
mmeineke |
377 |
finalOut.open( finalName, ios::out | ios::trunc ); |
515 |
|
|
if( !finalOut ){ |
516 |
|
|
sprintf( painCave.errMsg, |
517 |
|
|
"Could not open \"%s\" for final dump output.\n", |
518 |
|
|
finalName ); |
519 |
|
|
painCave.isFatal = 1; |
520 |
|
|
simError(); |
521 |
|
|
} |
522 |
tim |
837 |
|
523 |
mmeineke |
377 |
// finalOut.setf( ios::scientific ); |
524 |
tim |
837 |
|
525 |
mmeineke |
377 |
#ifdef IS_MPI |
526 |
|
|
} |
527 |
tim |
837 |
|
528 |
mmeineke |
377 |
sprintf(checkPointMsg,"Opened file for final configuration\n"); |
529 |
tim |
837 |
MPIcheckPoint(); |
530 |
|
|
|
531 |
mmeineke |
377 |
#endif //is_mpi |
532 |
|
|
|
533 |
tim |
837 |
|
534 |
mmeineke |
377 |
#ifndef IS_MPI |
535 |
tim |
837 |
|
536 |
mmeineke |
377 |
finalOut << nAtoms << "\n"; |
537 |
tim |
837 |
|
538 |
gezelter |
591 |
finalOut << finalTime << ";\t" |
539 |
mmeineke |
590 |
<< entry_plug->Hmat[0][0] << "\t" |
540 |
|
|
<< entry_plug->Hmat[1][0] << "\t" |
541 |
gezelter |
591 |
<< entry_plug->Hmat[2][0] << ";\t" |
542 |
tim |
837 |
|
543 |
mmeineke |
590 |
<< entry_plug->Hmat[0][1] << "\t" |
544 |
|
|
<< entry_plug->Hmat[1][1] << "\t" |
545 |
gezelter |
591 |
<< entry_plug->Hmat[2][1] << ";\t" |
546 |
tim |
837 |
|
547 |
mmeineke |
590 |
<< entry_plug->Hmat[0][2] << "\t" |
548 |
|
|
<< entry_plug->Hmat[1][2] << "\t" |
549 |
tim |
837 |
<< entry_plug->Hmat[2][2] << ";"; |
550 |
|
|
|
551 |
|
|
//write out additional parameters, such as chi and eta |
552 |
|
|
finalOut << entry_plug->the_integrator->getAdditionalParameters(); |
553 |
|
|
finalOut << endl; |
554 |
|
|
|
555 |
mmeineke |
377 |
for( i=0; i<nAtoms; i++ ){ |
556 |
tim |
837 |
|
557 |
mmeineke |
670 |
atoms[i]->getPos(pos); |
558 |
|
|
atoms[i]->getVel(vel); |
559 |
tim |
837 |
|
560 |
mmeineke |
377 |
sprintf( tempBuffer, |
561 |
|
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
562 |
|
|
atoms[i]->getType(), |
563 |
mmeineke |
670 |
pos[0], |
564 |
|
|
pos[1], |
565 |
|
|
pos[2], |
566 |
|
|
vel[0], |
567 |
|
|
vel[1], |
568 |
|
|
vel[2]); |
569 |
mmeineke |
377 |
strcpy( writeLine, tempBuffer ); |
570 |
|
|
|
571 |
|
|
if( atoms[i]->isDirectional() ){ |
572 |
tim |
837 |
|
573 |
mmeineke |
377 |
dAtom = (DirectionalAtom *)atoms[i]; |
574 |
|
|
dAtom->getQ( q ); |
575 |
tim |
837 |
|
576 |
mmeineke |
377 |
sprintf( tempBuffer, |
577 |
|
|
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
578 |
|
|
q[0], |
579 |
|
|
q[1], |
580 |
|
|
q[2], |
581 |
|
|
q[3], |
582 |
|
|
dAtom->getJx(), |
583 |
|
|
dAtom->getJy(), |
584 |
|
|
dAtom->getJz()); |
585 |
|
|
strcat( writeLine, tempBuffer ); |
586 |
|
|
} |
587 |
|
|
else |
588 |
|
|
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
589 |
tim |
837 |
|
590 |
mmeineke |
377 |
finalOut << writeLine; |
591 |
|
|
} |
592 |
|
|
finalOut.flush(); |
593 |
gezelter |
415 |
finalOut.close(); |
594 |
mmeineke |
377 |
|
595 |
|
|
#else // is_mpi |
596 |
tim |
837 |
|
597 |
gezelter |
916 |
/* code to find maximum tag value */ |
598 |
|
|
int *tagub, flag, MAXTAG; |
599 |
|
|
MPI_Attr_get(MPI_COMM_WORLD, MPI_TAG_UB, &tagub, &flag); |
600 |
|
|
if (flag) { |
601 |
|
|
MAXTAG = *tagub; |
602 |
|
|
} else { |
603 |
|
|
MAXTAG = 32767; |
604 |
|
|
} |
605 |
mmeineke |
440 |
|
606 |
|
|
int haveError; |
607 |
|
|
|
608 |
mmeineke |
447 |
MPI_Status istatus; |
609 |
gezelter |
416 |
int *AtomToProcMap = mpiSim->getAtomToProcMap(); |
610 |
|
|
|
611 |
mmeineke |
377 |
// write out header and node 0's coordinates |
612 |
tim |
837 |
|
613 |
mmeineke |
377 |
if( worldRank == 0 ){ |
614 |
gezelter |
916 |
|
615 |
|
|
// Node 0 needs a list of the magic potatoes for each processor; |
616 |
|
|
|
617 |
|
|
nProc = mpiSim->getNumberProcessors(); |
618 |
|
|
potatoes = new int[nProc]; |
619 |
|
|
|
620 |
|
|
for (i = 0; i < nProc; i++) |
621 |
|
|
potatoes[i] = 0; |
622 |
|
|
|
623 |
mmeineke |
377 |
finalOut << mpiSim->getTotAtoms() << "\n"; |
624 |
tim |
837 |
|
625 |
gezelter |
591 |
finalOut << finalTime << ";\t" |
626 |
gezelter |
907 |
<< entry_plug->Hmat[0][0] << "\t" |
627 |
|
|
<< entry_plug->Hmat[1][0] << "\t" |
628 |
|
|
<< entry_plug->Hmat[2][0] << ";\t" |
629 |
tim |
837 |
|
630 |
gezelter |
907 |
<< entry_plug->Hmat[0][1] << "\t" |
631 |
|
|
<< entry_plug->Hmat[1][1] << "\t" |
632 |
|
|
<< entry_plug->Hmat[2][1] << ";\t" |
633 |
tim |
837 |
|
634 |
gezelter |
907 |
<< entry_plug->Hmat[0][2] << "\t" |
635 |
|
|
<< entry_plug->Hmat[1][2] << "\t" |
636 |
|
|
<< entry_plug->Hmat[2][2] << ";"; |
637 |
tim |
837 |
|
638 |
|
|
finalOut << entry_plug->the_integrator->getAdditionalParameters(); |
639 |
|
|
finalOut << endl; |
640 |
gezelter |
907 |
finalOut.flush(); |
641 |
gezelter |
916 |
|
642 |
gezelter |
416 |
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
643 |
gezelter |
916 |
|
644 |
gezelter |
907 |
// Get the Node number which has this atom; |
645 |
gezelter |
916 |
|
646 |
tim |
837 |
which_node = AtomToProcMap[i]; |
647 |
gezelter |
916 |
|
648 |
|
|
if (which_node != 0) { |
649 |
tim |
837 |
|
650 |
gezelter |
916 |
if (potatoes[which_node] + 3 >= MAXTAG) { |
651 |
|
|
// The potato was going to exceed the maximum value, |
652 |
|
|
// so wrap this processor potato back to 0: |
653 |
|
|
|
654 |
|
|
potatoes[which_node] = 0; |
655 |
|
|
MPI_Send(0, 1, MPI_INT, which_node, 0, MPI_COMM_WORLD); |
656 |
|
|
|
657 |
|
|
} |
658 |
|
|
|
659 |
|
|
myPotato = potatoes[which_node]; |
660 |
gezelter |
907 |
|
661 |
gezelter |
910 |
MPI_Recv(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, which_node, |
662 |
gezelter |
916 |
myPotato, MPI_COMM_WORLD, &istatus); |
663 |
gezelter |
907 |
|
664 |
gezelter |
910 |
strncpy(atomTypeString, MPIatomTypeString, MINIBUFFERSIZE); |
665 |
gezelter |
907 |
|
666 |
gezelter |
916 |
// Null terminate the atomTypeString just in case: |
667 |
gezelter |
907 |
|
668 |
gezelter |
916 |
atomTypeString[strlen(atomTypeString) - 1] = '\0'; |
669 |
gezelter |
907 |
|
670 |
gezelter |
916 |
myPotato++; |
671 |
gezelter |
907 |
|
672 |
gezelter |
916 |
MPI_Recv(&isDirectional, 1, MPI_INT, which_node, |
673 |
|
|
myPotato, MPI_COMM_WORLD, &istatus); |
674 |
|
|
|
675 |
|
|
myPotato++; |
676 |
|
|
|
677 |
|
|
if (isDirectional) { |
678 |
|
|
MPI_Recv(atomData13, 13, MPI_DOUBLE, which_node, |
679 |
|
|
myPotato, MPI_COMM_WORLD, &istatus); |
680 |
|
|
} else { |
681 |
|
|
MPI_Recv(atomData6, 6, MPI_DOUBLE, which_node, |
682 |
|
|
myPotato, MPI_COMM_WORLD, &istatus); |
683 |
gezelter |
907 |
} |
684 |
gezelter |
916 |
|
685 |
|
|
myPotato++; |
686 |
|
|
potatoes[which_node] = myPotato; |
687 |
gezelter |
907 |
|
688 |
|
|
} else { |
689 |
|
|
|
690 |
|
|
haveError = 0; |
691 |
chuckv |
437 |
which_atom = i; |
692 |
tim |
837 |
local_index=-1; |
693 |
gezelter |
916 |
|
694 |
chuckv |
437 |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
695 |
|
|
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
696 |
|
|
} |
697 |
gezelter |
916 |
|
698 |
tim |
837 |
if (local_index != -1) { |
699 |
gezelter |
916 |
|
700 |
gezelter |
907 |
atomTypeString = atoms[local_index]->getType(); |
701 |
|
|
|
702 |
mmeineke |
670 |
atoms[local_index]->getPos(pos); |
703 |
gezelter |
916 |
atoms[local_index]->getVel(vel); |
704 |
tim |
837 |
|
705 |
gezelter |
916 |
atomData6[0] = pos[0]; |
706 |
|
|
atomData6[1] = pos[1]; |
707 |
|
|
atomData6[2] = pos[2]; |
708 |
tim |
837 |
|
709 |
gezelter |
916 |
atomData6[3] = vel[0]; |
710 |
|
|
atomData6[4] = vel[1]; |
711 |
|
|
atomData6[5] = vel[2]; |
712 |
gezelter |
907 |
|
713 |
|
|
isDirectional = 0; |
714 |
tim |
837 |
|
715 |
gezelter |
907 |
if( atoms[local_index]->isDirectional() ){ |
716 |
tim |
837 |
|
717 |
gezelter |
907 |
isDirectional = 1; |
718 |
|
|
|
719 |
|
|
dAtom = (DirectionalAtom *)atoms[local_index]; |
720 |
|
|
dAtom->getQ( q ); |
721 |
gezelter |
916 |
|
722 |
|
|
for (int j = 0; j < 6 ; j++) |
723 |
|
|
atomData13[j] = atomData6[j]; |
724 |
gezelter |
907 |
|
725 |
gezelter |
916 |
atomData13[6] = q[0]; |
726 |
|
|
atomData13[7] = q[1]; |
727 |
|
|
atomData13[8] = q[2]; |
728 |
|
|
atomData13[9] = q[3]; |
729 |
|
|
|
730 |
|
|
atomData13[10] = dAtom->getJx(); |
731 |
|
|
atomData13[11] = dAtom->getJy(); |
732 |
|
|
atomData13[12] = dAtom->getJz(); |
733 |
gezelter |
907 |
} |
734 |
gezelter |
916 |
|
735 |
gezelter |
907 |
} else { |
736 |
mmeineke |
440 |
sprintf(painCave.errMsg, |
737 |
|
|
"Atom %d not found on processor %d\n", |
738 |
|
|
i, worldRank ); |
739 |
|
|
haveError= 1; |
740 |
|
|
simError(); |
741 |
tim |
837 |
} |
742 |
gezelter |
916 |
|
743 |
gezelter |
907 |
if(haveError) DieDieDie(); |
744 |
gezelter |
916 |
|
745 |
gezelter |
907 |
// If we've survived to here, format the line: |
746 |
|
|
|
747 |
gezelter |
916 |
if (!isDirectional) { |
748 |
tim |
837 |
|
749 |
gezelter |
916 |
sprintf( tempBuffer, |
750 |
|
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
751 |
|
|
atomTypeString, |
752 |
|
|
atomData6[0], |
753 |
|
|
atomData6[1], |
754 |
|
|
atomData6[2], |
755 |
|
|
atomData6[3], |
756 |
|
|
atomData6[4], |
757 |
|
|
atomData6[5]); |
758 |
|
|
|
759 |
|
|
strcpy( writeLine, tempBuffer ); |
760 |
|
|
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
761 |
tim |
837 |
|
762 |
gezelter |
916 |
} else { |
763 |
|
|
|
764 |
gezelter |
907 |
sprintf( tempBuffer, |
765 |
gezelter |
916 |
"%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", |
766 |
|
|
atomTypeString, |
767 |
|
|
atomData13[0], |
768 |
|
|
atomData13[1], |
769 |
|
|
atomData13[2], |
770 |
|
|
atomData13[3], |
771 |
|
|
atomData13[4], |
772 |
|
|
atomData13[5], |
773 |
|
|
atomData13[6], |
774 |
|
|
atomData13[7], |
775 |
|
|
atomData13[8], |
776 |
|
|
atomData13[9], |
777 |
|
|
atomData13[10], |
778 |
|
|
atomData13[11], |
779 |
|
|
atomData13[12]); |
780 |
|
|
|
781 |
gezelter |
907 |
strcat( writeLine, tempBuffer ); |
782 |
gezelter |
916 |
|
783 |
gezelter |
907 |
} |
784 |
gezelter |
916 |
|
785 |
gezelter |
907 |
finalOut << writeLine; |
786 |
|
|
finalOut.flush(); |
787 |
|
|
} |
788 |
mmeineke |
377 |
} |
789 |
|
|
|
790 |
gezelter |
907 |
finalOut.flush(); |
791 |
|
|
sprintf( checkPointMsg, |
792 |
|
|
"Sucessfully took a dump.\n"); |
793 |
tim |
919 |
delete[] potatoes; |
794 |
|
|
|
795 |
gezelter |
907 |
MPIcheckPoint(); |
796 |
|
|
|
797 |
gezelter |
415 |
} else { |
798 |
tim |
837 |
|
799 |
gezelter |
907 |
// worldRank != 0, so I'm a remote node. |
800 |
gezelter |
916 |
|
801 |
|
|
// Set my magic potato to 0: |
802 |
|
|
|
803 |
|
|
myPotato = 0; |
804 |
gezelter |
907 |
|
805 |
|
|
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
806 |
|
|
|
807 |
|
|
// Am I the node which has this atom? |
808 |
|
|
|
809 |
|
|
if (AtomToProcMap[i] == worldRank) { |
810 |
mmeineke |
440 |
|
811 |
gezelter |
916 |
if (myPotato + 3 >= MAXTAG) { |
812 |
|
|
|
813 |
|
|
// The potato was going to exceed the maximum value, |
814 |
|
|
// so wrap this processor potato back to 0 (and block until |
815 |
|
|
// node 0 says we can go: |
816 |
|
|
|
817 |
|
|
MPI_Recv(&myPotato, 1, MPI_INT, 0, 0, MPI_COMM_WORLD, &istatus); |
818 |
|
|
|
819 |
|
|
} |
820 |
tim |
919 |
which_atom = i; |
821 |
gezelter |
907 |
local_index=-1; |
822 |
|
|
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
823 |
|
|
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
824 |
|
|
} |
825 |
|
|
if (local_index != -1) { |
826 |
|
|
|
827 |
|
|
atomTypeString = atoms[local_index]->getType(); |
828 |
tim |
837 |
|
829 |
gezelter |
907 |
atoms[local_index]->getPos(pos); |
830 |
|
|
atoms[local_index]->getVel(vel); |
831 |
tim |
837 |
|
832 |
gezelter |
916 |
atomData6[0] = pos[0]; |
833 |
|
|
atomData6[1] = pos[1]; |
834 |
|
|
atomData6[2] = pos[2]; |
835 |
tim |
837 |
|
836 |
gezelter |
916 |
atomData6[3] = vel[0]; |
837 |
|
|
atomData6[4] = vel[1]; |
838 |
|
|
atomData6[5] = vel[2]; |
839 |
gezelter |
907 |
|
840 |
|
|
isDirectional = 0; |
841 |
tim |
837 |
|
842 |
gezelter |
907 |
if( atoms[local_index]->isDirectional() ){ |
843 |
mmeineke |
377 |
|
844 |
gezelter |
907 |
isDirectional = 1; |
845 |
|
|
|
846 |
|
|
dAtom = (DirectionalAtom *)atoms[local_index]; |
847 |
|
|
dAtom->getQ( q ); |
848 |
|
|
|
849 |
gezelter |
916 |
for (int j = 0; j < 6 ; j++) |
850 |
|
|
atomData13[j] = atomData6[j]; |
851 |
|
|
|
852 |
|
|
atomData13[6] = q[0]; |
853 |
|
|
atomData13[7] = q[1]; |
854 |
|
|
atomData13[8] = q[2]; |
855 |
|
|
atomData13[9] = q[3]; |
856 |
mmeineke |
670 |
|
857 |
gezelter |
916 |
atomData13[10] = dAtom->getJx(); |
858 |
|
|
atomData13[11] = dAtom->getJy(); |
859 |
|
|
atomData13[12] = dAtom->getJz(); |
860 |
gezelter |
907 |
} |
861 |
tim |
837 |
|
862 |
gezelter |
907 |
} else { |
863 |
|
|
sprintf(painCave.errMsg, |
864 |
|
|
"Atom %d not found on processor %d\n", |
865 |
|
|
i, worldRank ); |
866 |
|
|
haveError= 1; |
867 |
|
|
simError(); |
868 |
|
|
} |
869 |
tim |
837 |
|
870 |
gezelter |
916 |
strncpy(MPIatomTypeString, atomTypeString, MINIBUFFERSIZE); |
871 |
tim |
837 |
|
872 |
gezelter |
916 |
// null terminate the string before sending (just in case): |
873 |
|
|
MPIatomTypeString[MINIBUFFERSIZE-1] = '\0'; |
874 |
tim |
837 |
|
875 |
gezelter |
910 |
MPI_Send(MPIatomTypeString, MINIBUFFERSIZE, MPI_CHAR, 0, |
876 |
gezelter |
916 |
myPotato, MPI_COMM_WORLD); |
877 |
gezelter |
907 |
|
878 |
gezelter |
916 |
myPotato++; |
879 |
|
|
|
880 |
gezelter |
907 |
MPI_Send(&isDirectional, 1, MPI_INT, 0, |
881 |
gezelter |
916 |
myPotato, MPI_COMM_WORLD); |
882 |
gezelter |
907 |
|
883 |
gezelter |
916 |
myPotato++; |
884 |
|
|
|
885 |
gezelter |
907 |
if (isDirectional) { |
886 |
|
|
|
887 |
gezelter |
916 |
MPI_Send(atomData13, 13, MPI_DOUBLE, 0, |
888 |
|
|
myPotato, MPI_COMM_WORLD); |
889 |
gezelter |
907 |
|
890 |
gezelter |
916 |
} else { |
891 |
|
|
|
892 |
|
|
MPI_Send(atomData6, 6, MPI_DOUBLE, 0, |
893 |
|
|
myPotato, MPI_COMM_WORLD); |
894 |
gezelter |
907 |
} |
895 |
gezelter |
916 |
|
896 |
|
|
myPotato++; |
897 |
mmeineke |
377 |
} |
898 |
gezelter |
907 |
} |
899 |
mmeineke |
440 |
|
900 |
gezelter |
907 |
sprintf( checkPointMsg, |
901 |
gezelter |
916 |
"Sucessfully took a dump.\n"); |
902 |
gezelter |
907 |
MPIcheckPoint(); |
903 |
|
|
|
904 |
gezelter |
916 |
} |
905 |
gezelter |
907 |
|
906 |
tim |
837 |
if( worldRank == 0 ) finalOut.close(); |
907 |
mmeineke |
377 |
#endif // is_mpi |
908 |
|
|
} |
909 |
mmeineke |
440 |
|
910 |
|
|
|
911 |
|
|
|
912 |
|
|
#ifdef IS_MPI |
913 |
|
|
|
914 |
|
|
// a couple of functions to let us escape the write loop |
915 |
|
|
|
916 |
gezelter |
907 |
void dWrite::DieDieDie( void ){ |
917 |
tim |
837 |
|
918 |
mmeineke |
440 |
MPI_Finalize(); |
919 |
|
|
exit (0); |
920 |
|
|
} |
921 |
|
|
|
922 |
|
|
#endif //is_mpi |