2.42s
Test: UNRES_M_multi_checkgrad
(Failed)
Build: devel Linux-gfortan-MPI-DFA E0LL2Y
(m10)
on 2020-03-30 02:57:34
Repository revision: b3efc8d5acc9051f49c246721f0d1f78dde46d01
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/unres/src_MD-M-SAXS-homology/test_mpi_E0LL2Y.sh" "1DKZcut-checkgrad" "2" "2"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP Bye Bye...
2
2
indpdb= 16 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
ATU 3
Calling CHECK_ECARTINT 1.000D-04
0
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Total wall clock time 2.3267841339111328 sec
Processor 0 BROADCAST time 2.4936199188232422E-003 REDUCE time 2.4621486663818359E-003 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 1.9533634185791016E-003 BARRIER grad 1.1920928955078125E-006
CG processor 0 is finishing work.
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ] 4.3702125549316406E-004 order[ 1 ] 6.0134700169990685E-154 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 6.0134700169990685E-154 order[ 5 ] 1.1352142274244181E-310 order[ 6 ] 6.0134700169990685E-154 order[ 7 ] 4.3225288391113281E-003 order[ 8 ] 4.9406564584124654E-324 order[ 9 ] 1.1352142274849412E-310 order[ 10 ] 4.6572559110395664E-310
Largest abs(1-numerical/analytical)= 1
Sorted:
1 0.00000E+00
2 -0.00000E+00
3 -0.00000E+00
4 0.00000E+00
5 0.00000E+00
6 0.00000E+00
7 -0.00000E+00
8 -0.00000E+00
9 -0.00000E+00
10 0.00000E+00
11 0.00000E+00
12 0.00000E+00
13 0.00000E+00
14 0.00000E+00
15 -0.00000E+00
16 0.00000E+00
17 0.00000E+00
18 -0.00000E+00
19 -0.00000E+00
20 -0.00000E+00
21 0.00000E+00
22 -0.00000E+00
23 -0.00000E+00
24 -0.00000E+00
25 -0.00000E+00
26 0.00000E+00
27 0.00000E+00
28 0.00000E+00
29 -0.00000E+00
30 -0.00000E+00
31 -0.00000E+00
32 -0.00000E+00
33 -0.00000E+00
34 0.00000E+00
35 0.00000E+00
36 -0.00000E+00
37 0.00000E+00
38 -0.00000E+00
39 -0.00000E+00
40 0.00000E+00
41 -0.00000E+00
42 0.00000E+00
43 0.00000E+00
44 0.00000E+00
45 -0.00000E+00
46 0.00000E+00
47 -0.00000E+00
48 0.00000E+00
49 -0.00000E+00
50 -0.00000E+00
51 0.00000E+00
52 0.00000E+00
53 -0.00000E+00
54 -0.00000E+00
55 -0.00000E+00
56 0.00000E+00
57 -0.00000E+00
58 0.00000E+00
59 -0.00000E+00
60 -0.00000E+00
61 0.00000E+00
62 -0.00000E+00
63 0.00000E+00
64 0.00000E+00
65 -0.00000E+00
66 -0.00000E+00
67 0.00000E+00
68 0.00000E+00
69 0.00000E+00
70 0.00000E+00
71 0.00000E+00
72 -0.00000E+00
73 0.00000E+00
74 -0.00000E+00
75 -0.00000E+00
76 0.00000E+00
77 -0.00000E+00
78 -0.00000E+00
79 -0.00000E+00
80 0.00000E+00
81 0.00000E+00
82 0.00000E+00
83 -0.00000E+00
84 -0.00000E+00
85 0.00000E+00
86 0.00000E+00
87 0.00000E+00
88 -0.00000E+00
89 -0.00000E+00
90 -0.00000E+00
91 0.00000E+00
92 0.00000E+00
93 0.00000E+00
94 -0.00000E+00
95 -0.00000E+00
96 -0.00000E+00
97 -0.00000E+00
98 -0.00000E+00
99 -0.00000E+00
100 -0.00000E+00
101 -0.00000E+00
102 -0.00000E+00
103 -0.00000E+00
104 0.00000E+00
105 -0.00000E+00
106 -0.00000E+00
107 -0.00000E+00
108 -0.00000E+00
109 -0.00000E+00
110 0.00000E+00
111 0.00000E+00
112 -0.00000E+00
113 -0.00000E+00
114 -0.00000E+00
115 0.00000E+00
116 0.00000E+00
117 -0.00000E+00
118 -0.00000E+00
119 -0.00000E+00
120 -0.00000E+00
121 0.00000E+00
122 0.00000E+00
123 0.00000E+00
124 0.00000E+00
125 -0.00000E+00
126 -0.00000E+00
127 -0.00000E+00
128 -0.00000E+00
129 -0.00000E+00
130 0.00000E+00
131 -0.00000E+00
132 -0.00000E+00
133 0.00000E+00
134 -0.00000E+00
135 -0.00000E+00
136 0.00000E+00
137 -0.00000E+00
138 -0.00000E+00
139 -0.00000E+00
140 0.00000E+00
141 0.00000E+00
142 0.00000E+00
143 -0.00000E+00
144 -0.00000E+00
145 0.00000E+00
146 0.00000E+00
147 0.00000E+00
148 0.00000E+00
149 -0.00000E+00
150 -0.00000E+00
151 0.00000E+00
152 -0.00000E+00
153 -0.00000E+00
154 0.00000E+00
155 -0.00000E+00
156 0.00000E+00
157 0.00000E+00
158 -0.00000E+00
159 0.00000E+00
160 0.00000E+00
161 -0.00000E+00
162 0.00000E+00
163 0.00000E+00
164 -0.00000E+00
165 0.00000E+00
166 0.00000E+00
167 -0.00000E+00
168 0.00000E+00
169 0.00000E+00
170 -0.00000E+00
171 0.00000E+00
172 0.00000E+00
173 -0.00000E+00
174 0.00000E+00
175 0.00000E+00
176 -0.00000E+00
177 -0.00000E+00
178 -0.00000E+00
179 0.00000E+00
180 -0.00000E+00
181 -0.00000E+00
182 -0.00000E+00
183 0.00000E+00
184 0.00000E+00
185 -0.00000E+00
186 0.00000E+00
187 -0.00000E+00
188 -0.00000E+00
189 -0.00000E+00
190 0.00000E+00
191 -0.00000E+00
192 0.00000E+00
193 -0.00000E+00
194 0.00000E+00
195 0.00000E+00
196 0.00000E+00
197 -0.00000E+00
198 0.00000E+00
199 0.00000E+00
200 -0.00000E+00
201 0.00000E+00
202 0.00000E+00
203 -0.00000E+00
204 0.00000E+00
205 -0.00000E+00
206 0.00000E+00
207 0.00000E+00
208 0.00000E+00
209 -0.00000E+00
210 0.00000E+00
211 -0.00000E+00
212 0.00000E+00
213 -0.00000E+00
214 0.00000E+00
215 -0.00000E+00
216 0.00000E+00
217 -0.00000E+00
218 0.00000E+00
219 0.00000E+00
220 0.00000E+00
221 -0.00000E+00
222 0.00000E+00
223 -0.00000E+00
224 0.00000E+00
225 -0.00000E+00
226 0.00000E+00
227 -0.00000E+00
228 0.00000E+00
229 0.00000E+00
230 -0.00000E+00
231 -0.00000E+00
232 0.00000E+00
233 -0.00000E+00
234 0.00000E+00
235 -0.00000E+00
236 0.00000E+00
237 -0.00000E+00
238 -0.00000E+00
239 0.00000E+00
240 -0.00000E+00
241 -0.00000E+00
242 -0.00000E+00
243 0.00000E+00
244 -0.00000E+00
245 0.00000E+00
246 -0.00000E+00
247 -0.00000E+00
248 -0.00000E+00
249 0.00000E+00
250 0.00000E+00
251 0.00000E+00
252 -0.00000E+00
253 -0.00000E+00
254 0.00000E+00
255 0.00000E+00
256 0.00000E+00
257 0.00000E+00
258 -0.00000E+00
259 0.00000E+00
260 0.00000E+00
261 -0.00000E+00
262 0.00000E+00
263 0.00000E+00
264 -0.00000E+00
265 0.00000E+00
266 -0.00000E+00
267 0.00000E+00
268 0.00000E+00
269 0.00000E+00
270 -0.00000E+00
271 -0.00000E+00
272 0.00000E+00
273 -0.00000E+00
274 -0.00000E+00
275 0.00000E+00
276 -0.00000E+00
277 -0.00000E+00
278 0.00000E+00
279 0.00000E+00
280 -0.00000E+00
281 0.00000E+00
282 -0.00000E+00
283 -0.00000E+00
284 -0.00000E+00
285 0.00000E+00
286 0.00000E+00
287 0.00000E+00
288 -0.00000E+00
289 -0.00000E+00
290 -0.00000E+00
291 0.00000E+00
292 0.00000E+00
293 0.00000E+00
294 -0.00000E+00
295 0.00000E+00
296 0.00000E+00
297 0.00000E+00
298 0.00000E+00
299 0.00000E+00
300 -0.00000E+00
301 0.00000E+00
302 -0.00000E+00
303 0.00000E+00
304 0.00000E+00
305 0.00000E+00
306 -0.00000E+00
307 -0.00000E+00
308 -0.00000E+00
309 -0.00000E+00
310 0.00000E+00
311 0.00000E+00
312 -0.00000E+00
313 -0.00000E+00
314 -0.00000E+00
315 -0.00000E+00
316 0.00000E+00
317 0.00000E+00
318 -0.00000E+00
319 -0.00000E+00
320 -0.00000E+00
321 -0.00000E+00
322 0.00000E+00
323 0.00000E+00
324 -0.00000E+00
325 0.00000E+00
326 0.00000E+00
327 -0.00000E+00
328 0.00000E+00
329 0.00000E+00
330 -0.00000E+00
331 -0.00000E+00
332 0.00000E+00
333 -0.00000E+00
334 0.00000E+00
335 0.00000E+00
336 -0.00000E+00
337 -0.00000E+00
338 -0.00000E+00
339 0.00000E+00
340 0.00000E+00
341 0.00000E+00
342 -0.00000E+00
343 0.00000E+00
344 -0.00000E+00
345 0.00000E+00
346 0.00000E+00
347 0.00000E+00
348 -0.00000E+00
349 0.00000E+00
350 -0.00000E+00
351 -0.00000E+00
352 0.00000E+00
353 0.00000E+00
354 -0.00000E+00
355 0.00000E+00
356 0.00000E+00
357 0.00000E+00
358 0.00000E+00
359 0.00000E+00
360 -0.00000E+00
361 0.00000E+00
362 0.00000E+00
363 0.00000E+00
364 0.00000E+00
365 0.00000E+00
366 -0.00000E+00
367 0.00000E+00
368 0.00000E+00
369 0.00000E+00
370 0.00000E+00
371 0.00000E+00
372 -0.00000E+00
373 0.00000E+00
374 0.00000E+00
375 0.00000E+00
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377 0.00000E+00
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379 0.00000E+00
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381 -0.00000E+00
382 0.00000E+00
383 0.00000E+00
384 -0.00000E+00
385 -0.00000E+00
386 -0.00000E+00
387 0.00000E+00
388 0.00000E+00
389 0.00000E+00
390 -0.00000E+00
391 -0.00000E+00
392 0.00000E+00
393 0.00000E+00
394 0.00000E+00
395 0.00000E+00
396 -0.00000E+00
397 0.00000E+00
398 0.00000E+00
399 0.00000E+00
400 0.00000E+00
401 0.00000E+00
402 -0.00000E+00
403 0.00000E+00
404 0.00000E+00
405 -0.00000E+00
406 0.00000E+00
407 0.00000E+00
408 -0.00000E+00
409 -0.00000E+00
410 -0.00000E+00
411 -0.00000E+00
412 0.00000E+00
413 0.00000E+00
414 -0.00000E+00
415 -0.00000E+00
416 0.00000E+00
417 -0.00000E+00
418 0.00000E+00
419 0.00000E+00
420 -0.00000E+00
421 0.00000E+00
422 0.00000E+00
423 0.00000E+00
424 -0.00000E+00
425 0.00000E+00
426 -0.00000E+00
427 0.00000E+00
428 0.00000E+00
429 -0.00000E+00
430 0.00000E+00
431 0.00000E+00
432 -0.00000E+00
433 -0.00000E+00
434 -0.00000E+00
435 0.00000E+00
436 0.00000E+00
437 0.00000E+00
438 -0.00000E+00
439 -0.00000E+00
440 -0.00000E+00
441 0.00000E+00
442 -0.00000E+00
443 0.00000E+00
444 -0.00000E+00
445 0.00000E+00
446 0.00000E+00
447 -0.00000E+00
448 -0.00000E+00
449 0.00000E+00
450 -0.00000E+00
451 -0.00000E+00
452 0.00000E+00
453 -0.00000E+00
454 -0.00000E+00
455 0.00000E+00
456 -0.00000E+00
457 -0.00000E+00
458 0.00000E+00
459 -0.00000E+00
460 0.00000E+00
461 0.00000E+00
462 -0.00000E+00
463 -0.00000E+00
464 -0.00000E+00
465 -0.00000E+00
466 -0.00000E+00
467 0.00000E+00
468 -0.00000E+00
469 -0.00000E+00
470 0.00000E+00
471 -0.00000E+00
472 -0.00000E+00
473 0.00000E+00
474 -0.00000E+00
475 -0.00000E+00
476 0.00000E+00
477 -0.00000E+00
478 -0.00000E+00
479 0.00000E+00
480 -0.00000E+00
481 0.00000E+00
482 0.00000E+00
483 0.00000E+00
484 -0.00000E+00
485 0.00000E+00
486 -0.00000E+00
487 -0.00000E+00
488 0.00000E+00
489 -0.00000E+00
490 0.00000E+00
491 -0.00000E+00
492 -0.00000E+00
493 -0.00000E+00
494 0.00000E+00
495 -0.00000E+00
496 0.00000E+00
497 -0.00000E+00
498 -0.00000E+00
499 0.00000E+00
500 0.00000E+00
501 -0.00000E+00
502 0.00000E+00
503 -0.00000E+00
504 -0.00000E+00
505 0.00000E+00
506 -0.00000E+00
507 -0.00000E+00
508 0.00000E+00
509 -0.00000E+00
510 -0.00000E+00
511 0.00000E+00
512 0.00000E+00
513 0.00000E+00
514 0.00000E+00
515 -0.00000E+00
516 -0.00000E+00
517 -0.00000E+00
518 0.00000E+00
519 -0.00000E+00
520 0.00000E+00
521 0.00000E+00
522 -0.00000E+00
523 0.00000E+00
524 0.00000E+00
525 -0.00000E+00
526 0.00000E+00
527 0.00000E+00
528 0.00000E+00
529 0.00000E+00
530 0.00000E+00
531 0.00000E+00
532 0.00000E+00
533 0.00000E+00
534 0.00000E+00
535 -0.00000E+00
536 0.00000E+00
537 -0.00000E+00
538 0.00000E+00
539 0.00000E+00
540 -0.00000E+00
541 -0.00000E+00
542 -0.00000E+00
543 -0.00000E+00
544 0.00000E+00
545 0.00000E+00
546 -0.00000E+00
ERROR largest abs(1-numerical/analytical) 1.0000000000
greater than 0.025