5 |
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#ifdef IS_MPI |
6 |
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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 |
9 |
> |
#define TAKE_THIS_TAG_INT 2 |
10 |
> |
|
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 ); |
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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; |
76 |
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int nAtoms = entry_plug->n_atoms; |
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Atom** atoms = entry_plug->atoms; |
78 |
+ |
|
79 |
+ |
double pos[3], vel[3]; |
80 |
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|
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|
82 |
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#ifndef IS_MPI |
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|
84 |
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outFile << nAtoms << "\n"; |
85 |
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|
86 |
< |
outFile << currentTime << "\t" |
87 |
< |
<< entry_plug->box_x << "\t" |
88 |
< |
<< entry_plug->box_y << "\t" |
89 |
< |
<< entry_plug->box_z << "\n"; |
86 |
> |
outFile << currentTime << ";\t" |
87 |
> |
<< entry_plug->Hmat[0][0] << "\t" |
88 |
> |
<< entry_plug->Hmat[1][0] << "\t" |
89 |
> |
<< entry_plug->Hmat[2][0] << ";\t" |
90 |
> |
|
91 |
> |
<< entry_plug->Hmat[0][1] << "\t" |
92 |
> |
<< entry_plug->Hmat[1][1] << "\t" |
93 |
> |
<< entry_plug->Hmat[2][1] << ";\t" |
94 |
> |
|
95 |
> |
<< entry_plug->Hmat[0][2] << "\t" |
96 |
> |
<< entry_plug->Hmat[1][2] << "\t" |
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> |
<< entry_plug->Hmat[2][2] << ";\n"; |
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|
99 |
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for( i=0; i<nAtoms; i++ ){ |
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|
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+ |
atoms[i]->getPos(pos); |
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atoms[i]->getVel(vel); |
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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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atoms[i]->getType(), |
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< |
atoms[i]->getX(), |
108 |
< |
atoms[i]->getY(), |
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< |
atoms[i]->getZ(), |
110 |
< |
atoms[i]->get_vx(), |
111 |
< |
atoms[i]->get_vy(), |
112 |
< |
atoms[i]->get_vz()); |
107 |
> |
pos[0], |
108 |
> |
pos[1], |
109 |
> |
pos[2], |
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> |
vel[0], |
111 |
> |
vel[1], |
112 |
> |
vel[2]); |
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strcpy( writeLine, tempBuffer ); |
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|
115 |
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if( atoms[i]->isDirectional() ){ |
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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. |
141 |
+ |
painCave.isEventLoop = 1; |
142 |
+ |
|
143 |
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int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone |
144 |
+ |
int haveError; |
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|
146 |
+ |
MPI_Status istatus; |
147 |
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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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|
151 |
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if( worldRank == 0 ){ |
152 |
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outFile << mpiSim->getTotAtoms() << "\n"; |
153 |
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|
154 |
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outFile << currentTime << ";\t" |
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<< entry_plug->Hmat[0][0] << "\t" |
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<< entry_plug->Hmat[1][0] << "\t" |
157 |
+ |
<< entry_plug->Hmat[2][0] << ";\t" |
158 |
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|
159 |
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<< entry_plug->Hmat[0][1] << "\t" |
160 |
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<< entry_plug->Hmat[1][1] << "\t" |
161 |
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<< entry_plug->Hmat[2][1] << ";\t" |
162 |
+ |
|
163 |
+ |
<< entry_plug->Hmat[0][2] << "\t" |
164 |
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<< entry_plug->Hmat[1][2] << "\t" |
165 |
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<< entry_plug->Hmat[2][2] << ";\n"; |
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|
167 |
< |
outFile << currentTime << "\t" |
168 |
< |
<< entry_plug->box_x << "\t" |
169 |
< |
<< entry_plug->box_y << "\t" |
134 |
< |
<< entry_plug->box_z << "\n"; |
135 |
< |
|
136 |
< |
for (i = 0 ; i < mpiPlug->nAtomsGlobal; i++ ) { |
137 |
< |
// Get the Node number which has this molecule: |
167 |
> |
outFile.flush(); |
168 |
> |
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
169 |
> |
// Get the Node number which has this atom; |
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|
171 |
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which_node = AtomToProcMap[i]; |
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|
173 |
< |
if (which_node == mpiPlug->myNode) { |
142 |
< |
|
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(), |
147 |
< |
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 ); |
173 |
> |
if (which_node == 0 ) { |
174 |
|
|
175 |
< |
if( atoms[i]->isDirectional() ){ |
175 |
> |
haveError = 0; |
176 |
> |
which_atom = i; |
177 |
> |
local_index=-1; |
178 |
> |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
179 |
> |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
180 |
> |
} |
181 |
> |
if (local_index != -1) { |
182 |
> |
//format the line |
183 |
|
|
184 |
< |
dAtom = (DirectionalAtom *)atoms[i]; |
185 |
< |
dAtom->getQ( q ); |
186 |
< |
|
184 |
> |
atoms[local_index]->getPos(pos); |
185 |
> |
atoms[local_index]->getVel(vel); |
186 |
> |
|
187 |
|
sprintf( tempBuffer, |
188 |
< |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
189 |
< |
q[0], |
190 |
< |
q[1], |
191 |
< |
q[2], |
192 |
< |
q[3], |
193 |
< |
dAtom->getJx(), |
194 |
< |
dAtom->getJy(), |
195 |
< |
dAtom->getJz()); |
196 |
< |
strcat( writeLine, tempBuffer ); |
197 |
< |
} |
198 |
< |
else |
199 |
< |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
200 |
< |
|
201 |
< |
} else { |
202 |
< |
|
203 |
< |
MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG); |
204 |
< |
MPI::COMM_WORLD.Receive(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
205 |
< |
TAKE_THIS_TAG, istatus); |
188 |
> |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
189 |
> |
atoms[local_index]->getType(), |
190 |
> |
pos[0], |
191 |
> |
pos[1], |
192 |
> |
pos[2], |
193 |
> |
vel[0], |
194 |
> |
vel[1], |
195 |
> |
vel[2]); // check here. |
196 |
> |
strcpy( writeLine, tempBuffer ); |
197 |
> |
|
198 |
> |
if( atoms[local_index]->isDirectional() ){ |
199 |
> |
|
200 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
201 |
> |
dAtom->getQ( q ); |
202 |
> |
|
203 |
> |
sprintf( tempBuffer, |
204 |
> |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
205 |
> |
q[0], |
206 |
> |
q[1], |
207 |
> |
q[2], |
208 |
> |
q[3], |
209 |
> |
dAtom->getJx(), |
210 |
> |
dAtom->getJy(), |
211 |
> |
dAtom->getJz()); |
212 |
> |
strcat( writeLine, tempBuffer ); |
213 |
> |
|
214 |
> |
} |
215 |
> |
else |
216 |
> |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
217 |
> |
} |
218 |
> |
else { |
219 |
> |
sprintf(painCave.errMsg, |
220 |
> |
"Atom %d not found on processor %d\n", |
221 |
> |
i, worldRank ); |
222 |
> |
haveError= 1; |
223 |
> |
simError(); |
224 |
> |
} |
225 |
> |
|
226 |
> |
if(haveError) nodeZeroError(); |
227 |
> |
|
228 |
|
} |
229 |
+ |
else { |
230 |
+ |
myStatus = 1; |
231 |
+ |
MPI_Send(&myStatus, 1, MPI_INT, which_node, |
232 |
+ |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
233 |
+ |
MPI_Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT, |
234 |
+ |
MPI_COMM_WORLD); |
235 |
+ |
MPI_Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
236 |
+ |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD, &istatus); |
237 |
+ |
MPI_Recv(&myStatus, 1, MPI_INT, which_node, |
238 |
+ |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
239 |
+ |
|
240 |
+ |
if(!myStatus) nodeZeroError(); |
241 |
+ |
|
242 |
+ |
} |
243 |
|
|
244 |
|
outFile << writeLine; |
245 |
+ |
outFile.flush(); |
246 |
|
} |
247 |
|
|
248 |
|
// kill everyone off: |
249 |
< |
for (j = 0; j < mpiPlug->numberProcessors; j++) { |
250 |
< |
MPI::COMM_WORLD.Send(GAME_OVER, 1, MPI_INT, j, TAKE_THIS_TAG); |
249 |
> |
myStatus = -1; |
250 |
> |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
251 |
> |
MPI_Send(&myStatus, 1, MPI_INT, j, |
252 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
253 |
|
} |
254 |
|
|
255 |
|
} else { |
256 |
|
|
257 |
|
done = 0; |
258 |
|
while (!done) { |
259 |
< |
MPI::COMM_WORLD.Receive(&which_atom, 1, MPI_INT, 0, |
260 |
< |
TAKE_THIS_TAG, istatus); |
259 |
> |
|
260 |
> |
MPI_Recv(&myStatus, 1, MPI_INT, 0, |
261 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
262 |
|
|
263 |
< |
if (which_atom == GAME_OVER) { |
264 |
< |
done=1; |
265 |
< |
continue; |
198 |
< |
} else { |
263 |
> |
if(!myStatus) anonymousNodeDie(); |
264 |
> |
|
265 |
> |
if(myStatus < 0) break; |
266 |
|
|
267 |
< |
//format the line |
267 |
> |
MPI_Recv(&which_atom, 1, MPI_INT, 0, |
268 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
269 |
> |
|
270 |
> |
myStatus = 1; |
271 |
> |
local_index=-1; |
272 |
> |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
273 |
> |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
274 |
> |
} |
275 |
> |
if (local_index != -1) { |
276 |
> |
//format the line |
277 |
> |
|
278 |
> |
atoms[local_index]->getPos(pos); |
279 |
> |
atoms[local_index]->getVel(vel); |
280 |
> |
|
281 |
|
sprintf( tempBuffer, |
282 |
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
283 |
< |
atoms[which_atom]->getType(), |
284 |
< |
atoms[which_atom]->getX(), |
285 |
< |
atoms[which_atom]->getY(), |
286 |
< |
atoms[which_atom]->getZ(), |
287 |
< |
atoms[which_atom]->get_vx(), |
288 |
< |
atoms[which_atom]->get_vy(), |
289 |
< |
atoms[which_atom]->get_vz()); // check here. |
283 |
> |
atoms[local_index]->getType(), |
284 |
> |
pos[0], |
285 |
> |
pos[1], |
286 |
> |
pos[2], |
287 |
> |
vel[0], |
288 |
> |
vel[1], |
289 |
> |
vel[2]); // check here. |
290 |
|
strcpy( writeLine, tempBuffer ); |
291 |
+ |
|
292 |
+ |
if( atoms[local_index]->isDirectional() ){ |
293 |
|
|
294 |
< |
if( atoms[which_atom]->isDirectional() ){ |
213 |
< |
|
214 |
< |
dAtom = (DirectionalAtom *)atoms[which_atom]; |
294 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
295 |
|
dAtom->getQ( q ); |
296 |
< |
|
296 |
> |
|
297 |
|
sprintf( tempBuffer, |
298 |
|
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
299 |
|
q[0], |
305 |
|
dAtom->getJz()); |
306 |
|
strcat( writeLine, tempBuffer ); |
307 |
|
} |
308 |
< |
else |
308 |
> |
else{ |
309 |
|
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
310 |
< |
|
311 |
< |
MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, |
312 |
< |
TAKE_THIS_TAG); |
310 |
> |
} |
311 |
> |
} |
312 |
> |
else { |
313 |
> |
sprintf(painCave.errMsg, |
314 |
> |
"Atom %d not found on processor %d\n", |
315 |
> |
which_atom, worldRank ); |
316 |
> |
myStatus = 0; |
317 |
> |
simError(); |
318 |
> |
|
319 |
> |
strcpy( writeLine, "Hello, I'm an error.\n"); |
320 |
|
} |
321 |
+ |
|
322 |
+ |
MPI_Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, |
323 |
+ |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD); |
324 |
+ |
MPI_Send( &myStatus, 1, MPI_INT, 0, |
325 |
+ |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
326 |
|
} |
327 |
|
} |
328 |
|
outFile.flush(); |
329 |
|
sprintf( checkPointMsg, |
330 |
|
"Sucessfully took a dump.\n"); |
331 |
|
MPIcheckPoint(); |
332 |
+ |
|
333 |
+ |
// last thing last, enable fatalities. |
334 |
+ |
painCave.isEventLoop = 0; |
335 |
+ |
|
336 |
|
#endif // is_mpi |
337 |
|
} |
338 |
|
|
339 |
< |
void DumpWriter::writeFinal(){ |
340 |
< |
|
339 |
> |
void DumpWriter::writeFinal(double finalTime){ |
340 |
> |
|
341 |
|
char finalName[500]; |
342 |
|
ofstream finalOut; |
343 |
+ |
|
344 |
+ |
const int BUFFERSIZE = 2000; |
345 |
+ |
char tempBuffer[BUFFERSIZE]; |
346 |
+ |
char writeLine[BUFFERSIZE]; |
347 |
+ |
|
348 |
+ |
double q[4]; |
349 |
+ |
DirectionalAtom* dAtom; |
350 |
+ |
int nAtoms = entry_plug->n_atoms; |
351 |
+ |
Atom** atoms = entry_plug->atoms; |
352 |
+ |
int i, j, which_node, done, game_over, which_atom, local_index; |
353 |
|
|
354 |
+ |
double pos[3], vel[3]; |
355 |
+ |
|
356 |
|
#ifdef IS_MPI |
357 |
|
if(worldRank == 0 ){ |
358 |
|
#endif // is_mpi |
383 |
|
|
384 |
|
finalOut << nAtoms << "\n"; |
385 |
|
|
386 |
< |
finalOut << entry_plug->box_x << "\t" |
387 |
< |
<< entry_plug->box_y << "\t" |
388 |
< |
<< entry_plug->box_z << "\n"; |
386 |
> |
finalOut << finalTime << ";\t" |
387 |
> |
<< entry_plug->Hmat[0][0] << "\t" |
388 |
> |
<< entry_plug->Hmat[1][0] << "\t" |
389 |
> |
<< entry_plug->Hmat[2][0] << ";\t" |
390 |
|
|
391 |
+ |
<< entry_plug->Hmat[0][1] << "\t" |
392 |
+ |
<< entry_plug->Hmat[1][1] << "\t" |
393 |
+ |
<< entry_plug->Hmat[2][1] << ";\t" |
394 |
+ |
|
395 |
+ |
<< entry_plug->Hmat[0][2] << "\t" |
396 |
+ |
<< entry_plug->Hmat[1][2] << "\t" |
397 |
+ |
<< entry_plug->Hmat[2][2] << ";\n"; |
398 |
+ |
|
399 |
|
for( i=0; i<nAtoms; i++ ){ |
400 |
|
|
401 |
+ |
atoms[i]->getPos(pos); |
402 |
+ |
atoms[i]->getVel(vel); |
403 |
+ |
|
404 |
|
sprintf( tempBuffer, |
405 |
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
406 |
|
atoms[i]->getType(), |
407 |
< |
atoms[i]->getX(), |
408 |
< |
atoms[i]->getY(), |
409 |
< |
atoms[i]->getZ(), |
410 |
< |
atoms[i]->get_vx(), |
411 |
< |
atoms[i]->get_vy(), |
412 |
< |
atoms[i]->get_vz()); |
407 |
> |
pos[0], |
408 |
> |
pos[1], |
409 |
> |
pos[2], |
410 |
> |
vel[0], |
411 |
> |
vel[1], |
412 |
> |
vel[2]); |
413 |
|
strcpy( writeLine, tempBuffer ); |
414 |
|
|
415 |
|
if( atoms[i]->isDirectional() ){ |
438 |
|
|
439 |
|
#else // is_mpi |
440 |
|
|
441 |
< |
MPI_Status istatus[MPI_STATUS_SIZE]; |
442 |
< |
|
441 |
> |
// first thing first, suspend fatalities. |
442 |
> |
painCave.isEventLoop = 1; |
443 |
> |
|
444 |
> |
int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone |
445 |
> |
int haveError; |
446 |
> |
|
447 |
> |
MPI_Status istatus; |
448 |
> |
int *AtomToProcMap = mpiSim->getAtomToProcMap(); |
449 |
> |
|
450 |
|
// write out header and node 0's coordinates |
451 |
|
|
452 |
+ |
haveError = 0; |
453 |
|
if( worldRank == 0 ){ |
454 |
|
finalOut << mpiSim->getTotAtoms() << "\n"; |
455 |
|
|
456 |
< |
finalOut << entry_plug->box_x << "\t" |
457 |
< |
<< entry_plug->box_y << "\t" |
458 |
< |
<< entry_plug->box_z << "\n"; |
456 |
> |
finalOut << finalTime << ";\t" |
457 |
> |
<< entry_plug->Hmat[0][0] << "\t" |
458 |
> |
<< entry_plug->Hmat[1][0] << "\t" |
459 |
> |
<< entry_plug->Hmat[2][0] << ";\t" |
460 |
> |
|
461 |
> |
<< entry_plug->Hmat[0][1] << "\t" |
462 |
> |
<< entry_plug->Hmat[1][1] << "\t" |
463 |
> |
<< entry_plug->Hmat[2][1] << ";\t" |
464 |
> |
|
465 |
> |
<< entry_plug->Hmat[0][2] << "\t" |
466 |
> |
<< entry_plug->Hmat[1][2] << "\t" |
467 |
> |
<< entry_plug->Hmat[2][2] << ";\n"; |
468 |
|
|
469 |
< |
for (i = 0 ; i < mpiPlug->nAtomsGlobal; i++ ) { |
469 |
> |
for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { |
470 |
|
// Get the Node number which has this molecule: |
471 |
|
|
472 |
|
which_node = AtomToProcMap[i]; |
473 |
|
|
474 |
< |
if (which_node == mpiPlug->myNode) { |
475 |
< |
|
476 |
< |
sprintf( tempBuffer, |
477 |
< |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
478 |
< |
atoms[i]->getType(), |
479 |
< |
atoms[i]->getX(), |
480 |
< |
atoms[i]->getY(), |
481 |
< |
atoms[i]->getZ(), |
482 |
< |
atoms[i]->get_vx(), |
483 |
< |
atoms[i]->get_vy(), |
484 |
< |
atoms[i]->get_vz()); |
348 |
< |
strcpy( writeLine, tempBuffer ); |
349 |
< |
|
350 |
< |
if( atoms[i]->isDirectional() ){ |
474 |
> |
if (which_node == mpiSim->getMyNode()) { |
475 |
> |
|
476 |
> |
which_atom = i; |
477 |
> |
local_index=-1; |
478 |
> |
for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) { |
479 |
> |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
480 |
> |
} |
481 |
> |
if (local_index != -1) { |
482 |
> |
|
483 |
> |
atoms[local_index]->getPos(pos); |
484 |
> |
atoms[local_index]->getVel(vel); |
485 |
|
|
486 |
< |
dAtom = (DirectionalAtom *)atoms[i]; |
487 |
< |
dAtom->getQ( q ); |
486 |
> |
sprintf( tempBuffer, |
487 |
> |
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
488 |
> |
atoms[local_index]->getType(), |
489 |
> |
pos[0], |
490 |
> |
pos[1], |
491 |
> |
pos[2], |
492 |
> |
vel[0], |
493 |
> |
vel[1], |
494 |
> |
vel[2]); |
495 |
> |
strcpy( writeLine, tempBuffer ); |
496 |
|
|
497 |
< |
sprintf( tempBuffer, |
498 |
< |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
499 |
< |
q[0], |
500 |
< |
q[1], |
501 |
< |
q[2], |
502 |
< |
q[3], |
503 |
< |
dAtom->getJx(), |
504 |
< |
dAtom->getJy(), |
505 |
< |
dAtom->getJz()); |
506 |
< |
strcat( writeLine, tempBuffer ); |
507 |
< |
} |
508 |
< |
else |
509 |
< |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
497 |
> |
if( atoms[local_index]->isDirectional() ){ |
498 |
> |
|
499 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
500 |
> |
dAtom->getQ( q ); |
501 |
> |
|
502 |
> |
sprintf( tempBuffer, |
503 |
> |
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
504 |
> |
q[0], |
505 |
> |
q[1], |
506 |
> |
q[2], |
507 |
> |
q[3], |
508 |
> |
dAtom->getJx(), |
509 |
> |
dAtom->getJy(), |
510 |
> |
dAtom->getJz()); |
511 |
> |
strcat( writeLine, tempBuffer ); |
512 |
> |
} |
513 |
> |
else |
514 |
> |
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
515 |
> |
} |
516 |
> |
else { |
517 |
> |
sprintf(painCave.errMsg, |
518 |
> |
"Atom %d not found on processor %d\n", |
519 |
> |
i, worldRank ); |
520 |
> |
haveError= 1; |
521 |
> |
simError(); |
522 |
> |
} |
523 |
> |
|
524 |
> |
if(haveError) nodeZeroError(); |
525 |
> |
|
526 |
> |
} |
527 |
> |
else { |
528 |
|
|
529 |
< |
} else { |
530 |
< |
|
531 |
< |
MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG); |
532 |
< |
MPI::COMM_WORLD.Receive(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
533 |
< |
TAKE_THIS_TAG, istatus); |
529 |
> |
myStatus = 1; |
530 |
> |
MPI_Send(&myStatus, 1, MPI_INT, which_node, |
531 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
532 |
> |
MPI_Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT, |
533 |
> |
MPI_COMM_WORLD); |
534 |
> |
MPI_Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node, |
535 |
> |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD, &istatus); |
536 |
> |
MPI_Recv(&myStatus, 1, MPI_INT, which_node, |
537 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
538 |
> |
|
539 |
> |
if(!myStatus) nodeZeroError(); |
540 |
|
} |
541 |
|
|
542 |
|
finalOut << writeLine; |
543 |
|
} |
544 |
|
|
545 |
|
// kill everyone off: |
546 |
< |
for (j = 0; j < mpiPlug->numberProcessors; j++) { |
547 |
< |
MPI::COMM_WORLD.Send(GAME_OVER, 1, MPI_INT, j, TAKE_THIS_TAG); |
546 |
> |
myStatus = -1; |
547 |
> |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
548 |
> |
MPI_Send(&myStatus, 1, MPI_INT, j, |
549 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
550 |
|
} |
551 |
|
|
552 |
|
} else { |
553 |
|
|
554 |
|
done = 0; |
555 |
|
while (!done) { |
388 |
– |
MPI::COMM_WORLD.Receive(&which_atom, 1, MPI_INT, 0, |
389 |
– |
TAKE_THIS_TAG, istatus); |
556 |
|
|
557 |
< |
if (which_atom == GAME_OVER) { |
558 |
< |
done=1; |
559 |
< |
continue; |
560 |
< |
} else { |
557 |
> |
MPI_Recv(&myStatus, 1, MPI_INT, 0, |
558 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
559 |
> |
|
560 |
> |
if(!myStatus) anonymousNodeDie(); |
561 |
> |
|
562 |
> |
if(myStatus < 0) break; |
563 |
> |
|
564 |
> |
MPI_Recv(&which_atom, 1, MPI_INT, 0, |
565 |
> |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus); |
566 |
> |
|
567 |
> |
myStatus = 1; |
568 |
> |
local_index=-1; |
569 |
> |
for (j=0; j < mpiSim->getMyNlocal(); j++) { |
570 |
> |
if (atoms[j]->getGlobalIndex() == which_atom) local_index = j; |
571 |
> |
} |
572 |
> |
if (local_index != -1) { |
573 |
|
|
574 |
< |
//format the line |
574 |
> |
atoms[local_index]->getPos(pos); |
575 |
> |
atoms[local_index]->getVel(vel); |
576 |
> |
|
577 |
> |
//format the line |
578 |
|
sprintf( tempBuffer, |
579 |
|
"%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t", |
580 |
< |
atoms[which_atom]->getType(), |
581 |
< |
atoms[which_atom]->getX(), |
582 |
< |
atoms[which_atom]->getY(), |
583 |
< |
atoms[which_atom]->getZ(), |
584 |
< |
atoms[which_atom]->get_vx(), |
585 |
< |
atoms[which_atom]->get_vy(), |
586 |
< |
atoms[which_atom]->get_vz()); // check here. |
580 |
> |
atoms[local_index]->getType(), |
581 |
> |
pos[0], |
582 |
> |
pos[1], |
583 |
> |
pos[2], |
584 |
> |
vel[0], |
585 |
> |
vel[1], |
586 |
> |
vel[2]); // check here. |
587 |
|
strcpy( writeLine, tempBuffer ); |
588 |
+ |
|
589 |
+ |
if( atoms[local_index]->isDirectional() ){ |
590 |
|
|
591 |
< |
if( atoms[which_atom]->isDirectional() ){ |
409 |
< |
|
410 |
< |
dAtom = (DirectionalAtom *)atoms[which_atom]; |
591 |
> |
dAtom = (DirectionalAtom *)atoms[local_index]; |
592 |
|
dAtom->getQ( q ); |
593 |
< |
|
593 |
> |
|
594 |
|
sprintf( tempBuffer, |
595 |
|
"%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n", |
596 |
|
q[0], |
602 |
|
dAtom->getJz()); |
603 |
|
strcat( writeLine, tempBuffer ); |
604 |
|
} |
605 |
< |
else |
605 |
> |
else{ |
606 |
|
strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" ); |
607 |
< |
|
608 |
< |
MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, |
609 |
< |
TAKE_THIS_TAG); |
607 |
> |
} |
608 |
> |
} |
609 |
> |
else { |
610 |
> |
sprintf(painCave.errMsg, |
611 |
> |
"Atom %d not found on processor %d\n", |
612 |
> |
which_atom, worldRank ); |
613 |
> |
myStatus = 0; |
614 |
> |
simError(); |
615 |
> |
|
616 |
> |
strcpy( writeLine, "Hello, I'm an error.\n"); |
617 |
|
} |
618 |
+ |
|
619 |
+ |
MPI_Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, |
620 |
+ |
TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD); |
621 |
+ |
MPI_Send( &myStatus, 1, MPI_INT, 0, |
622 |
+ |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
623 |
|
} |
624 |
< |
} |
624 |
> |
} |
625 |
|
finalOut.flush(); |
626 |
|
sprintf( checkPointMsg, |
627 |
|
"Sucessfully took a dump.\n"); |
628 |
|
MPIcheckPoint(); |
629 |
< |
|
629 |
> |
|
630 |
|
if( worldRank == 0 ) finalOut.close(); |
631 |
|
#endif // is_mpi |
632 |
|
} |
633 |
+ |
|
634 |
+ |
|
635 |
+ |
|
636 |
+ |
#ifdef IS_MPI |
637 |
+ |
|
638 |
+ |
// a couple of functions to let us escape the write loop |
639 |
+ |
|
640 |
+ |
void dWrite::nodeZeroError( void ){ |
641 |
+ |
int j, myStatus; |
642 |
+ |
|
643 |
+ |
myStatus = 0; |
644 |
+ |
for (j = 0; j < mpiSim->getNumberProcessors(); j++) { |
645 |
+ |
MPI_Send( &myStatus, 1, MPI_INT, j, |
646 |
+ |
TAKE_THIS_TAG_INT, MPI_COMM_WORLD); |
647 |
+ |
} |
648 |
+ |
|
649 |
+ |
|
650 |
+ |
MPI_Finalize(); |
651 |
+ |
exit (0); |
652 |
+ |
|
653 |
+ |
} |
654 |
+ |
|
655 |
+ |
void dWrite::anonymousNodeDie( void ){ |
656 |
+ |
|
657 |
+ |
MPI_Finalize(); |
658 |
+ |
exit (0); |
659 |
+ |
} |
660 |
+ |
|
661 |
+ |
#endif //is_mpi |