1.21s
Test: UNRES_M_multi_checkgrad
(Failed)
Build: devel Linux-gfortan-MPI NEWCORR
(m10)
on 2020-03-20 22:09:58
Repository revision: 01df9c4e865c1c5c100a7132ed5a0819a5b52410
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_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG 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-07
0
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Total wall clock time 1.1210529804229736 sec
Processor 0 BROADCAST time 1.7526149749755859E-003 REDUCE time 9.7560882568359375E-004 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 2.1637201309204102E-002 BARRIER grad 2.1457672119140625E-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 ] 3.4427642822265625E-004 order[ 1 ] 6.0134700169990685E-154 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 6.0134700169990685E-154 order[ 5 ] 1.1460553003693345E-310 order[ 6 ] 6.0134700169990685E-154 order[ 7 ] 2.0766258239746094E-003 order[ 8 ] 4.9406564584124654E-324 order[ 9 ] 1.1460553004298576E-310 order[ 10 ] 4.6796131823263113E-310
Largest abs(1-numerical/analytical)= 0.060849
Sorted:
1 9.39151E-01
2 9.47261E-01
3 9.68221E-01
4 9.69173E-01
5 9.89194E-01
6 9.89633E-01
7 9.99399E-01
8 9.99491E-01
9 9.99497E-01
10 9.99525E-01
11 9.99544E-01
12 9.99582E-01
13 9.99615E-01
14 9.99620E-01
15 9.99644E-01
16 9.99892E-01
17 9.99929E-01
18 9.99938E-01
19 9.99977E-01
20 9.99984E-01
21 9.99984E-01
22 9.99984E-01
23 9.99985E-01
24 9.99989E-01
25 9.99990E-01
26 9.99991E-01
27 9.99992E-01
28 9.99992E-01
29 9.99992E-01
30 9.99992E-01
31 9.99993E-01
32 9.99993E-01
33 9.99994E-01
34 9.99995E-01
35 9.99995E-01
36 9.99996E-01
37 9.99996E-01
38 9.99997E-01
39 9.99997E-01
40 9.99997E-01
41 9.99997E-01
42 9.99997E-01
43 9.99997E-01
44 9.99997E-01
45 9.99997E-01
46 9.99997E-01
47 9.99998E-01
48 9.99998E-01
49 9.99998E-01
50 9.99998E-01
51 9.99998E-01
52 9.99998E-01
53 9.99998E-01
54 9.99998E-01
55 9.99998E-01
56 9.99998E-01
57 9.99998E-01
58 9.99998E-01
59 9.99998E-01
60 9.99998E-01
61 9.99998E-01
62 9.99999E-01
63 9.99999E-01
64 9.99999E-01
65 9.99999E-01
66 9.99999E-01
67 9.99999E-01
68 9.99999E-01
69 9.99999E-01
70 9.99999E-01
71 9.99999E-01
72 9.99999E-01
73 9.99999E-01
74 9.99999E-01
75 9.99999E-01
76 9.99999E-01
77 9.99999E-01
78 9.99999E-01
79 9.99999E-01
80 9.99999E-01
81 9.99999E-01
82 9.99999E-01
83 9.99999E-01
84 9.99999E-01
85 9.99999E-01
86 9.99999E-01
87 9.99999E-01
88 9.99999E-01
89 9.99999E-01
90 9.99999E-01
91 9.99999E-01
92 9.99999E-01
93 9.99999E-01
94 9.99999E-01
95 9.99999E-01
96 9.99999E-01
97 9.99999E-01
98 9.99999E-01
99 9.99999E-01
100 9.99999E-01
101 9.99999E-01
102 9.99999E-01
103 9.99999E-01
104 9.99999E-01
105 9.99999E-01
106 9.99999E-01
107 9.99999E-01
108 9.99999E-01
109 9.99999E-01
110 9.99999E-01
111 9.99999E-01
112 1.00000E+00
113 1.00000E+00
114 1.00000E+00
115 1.00000E+00
116 1.00000E+00
117 1.00000E+00
118 1.00000E+00
119 1.00000E+00
120 1.00000E+00
121 1.00000E+00
122 1.00000E+00
123 1.00000E+00
124 1.00000E+00
125 1.00000E+00
126 1.00000E+00
127 1.00000E+00
128 1.00000E+00
129 1.00000E+00
130 1.00000E+00
131 1.00000E+00
132 1.00000E+00
133 1.00000E+00
134 1.00000E+00
135 1.00000E+00
136 1.00000E+00
137 1.00000E+00
138 1.00000E+00
139 1.00000E+00
140 1.00000E+00
141 1.00000E+00
142 1.00000E+00
143 1.00000E+00
144 1.00000E+00
145 1.00000E+00
146 1.00000E+00
147 1.00000E+00
148 1.00000E+00
149 1.00000E+00
150 1.00000E+00
151 1.00000E+00
152 1.00000E+00
153 1.00000E+00
154 1.00000E+00
155 1.00000E+00
156 1.00000E+00
157 1.00000E+00
158 1.00000E+00
159 1.00000E+00
160 1.00000E+00
161 1.00000E+00
162 1.00000E+00
163 1.00000E+00
164 1.00000E+00
165 1.00000E+00
166 1.00000E+00
167 1.00000E+00
168 1.00000E+00
169 1.00000E+00
170 1.00000E+00
171 1.00000E+00
172 1.00000E+00
173 1.00000E+00
174 1.00000E+00
175 1.00000E+00
176 1.00000E+00
177 1.00000E+00
178 1.00000E+00
179 1.00000E+00
180 1.00000E+00
181 1.00000E+00
182 1.00000E+00
183 1.00000E+00
184 1.00000E+00
185 1.00000E+00
186 1.00000E+00
187 1.00000E+00
188 1.00000E+00
189 1.00000E+00
190 1.00000E+00
191 1.00000E+00
192 1.00000E+00
193 1.00000E+00
194 1.00000E+00
195 1.00000E+00
196 1.00000E+00
197 1.00000E+00
198 1.00000E+00
199 1.00000E+00
200 1.00000E+00
201 1.00000E+00
202 1.00000E+00
203 1.00000E+00
204 1.00000E+00
205 1.00000E+00
206 1.00000E+00
207 1.00000E+00
208 1.00000E+00
209 1.00000E+00
210 1.00000E+00
211 1.00000E+00
212 1.00000E+00
213 1.00000E+00
214 1.00000E+00
215 1.00000E+00
216 1.00000E+00
217 1.00000E+00
218 1.00000E+00
219 1.00000E+00
220 1.00000E+00
221 1.00000E+00
222 1.00000E+00
223 1.00000E+00
224 1.00000E+00
225 1.00000E+00
226 1.00000E+00
227 1.00000E+00
228 1.00000E+00
229 1.00000E+00
230 1.00000E+00
231 1.00000E+00
232 1.00000E+00
233 1.00000E+00
234 1.00000E+00
235 1.00000E+00
236 1.00000E+00
237 1.00000E+00
238 1.00000E+00
239 1.00000E+00
240 1.00000E+00
241 1.00000E+00
242 1.00000E+00
243 1.00000E+00
244 1.00000E+00
245 1.00000E+00
246 1.00000E+00
247 1.00000E+00
248 1.00000E+00
249 1.00000E+00
250 1.00000E+00
251 1.00000E+00
252 1.00000E+00
253 1.00000E+00
254 1.00000E+00
255 1.00000E+00
256 1.00000E+00
257 1.00000E+00
258 1.00000E+00
259 1.00000E+00
260 1.00000E+00
261 1.00000E+00
262 1.00000E+00
263 1.00000E+00
264 1.00000E+00
265 1.00000E+00
266 1.00000E+00
267 1.00000E+00
268 1.00000E+00
269 1.00000E+00
270 1.00000E+00
271 1.00000E+00
272 1.00000E+00
273 1.00000E+00
274 1.00000E+00
275 1.00000E+00
276 1.00000E+00
277 1.00000E+00
278 1.00000E+00
279 1.00000E+00
280 1.00000E+00
281 1.00000E+00
282 1.00000E+00
283 1.00000E+00
284 1.00000E+00
285 1.00000E+00
286 1.00000E+00
287 1.00000E+00
288 1.00000E+00
289 1.00000E+00
290 1.00000E+00
291 1.00000E+00
292 1.00000E+00
293 1.00000E+00
294 1.00000E+00
295 1.00000E+00
296 1.00000E+00
297 1.00000E+00
298 1.00000E+00
299 1.00000E+00
300 1.00000E+00
301 1.00000E+00
302 1.00000E+00
303 1.00000E+00
304 1.00000E+00
305 1.00000E+00
306 1.00000E+00
307 1.00000E+00
308 1.00000E+00
309 1.00000E+00
310 1.00000E+00
311 1.00000E+00
312 1.00000E+00
313 1.00000E+00
314 1.00000E+00
315 1.00000E+00
316 1.00000E+00
317 1.00000E+00
318 1.00000E+00
319 1.00000E+00
320 1.00000E+00
321 1.00000E+00
322 1.00000E+00
323 1.00000E+00
324 1.00000E+00
325 1.00000E+00
326 1.00000E+00
327 1.00000E+00
328 1.00000E+00
329 1.00000E+00
330 1.00000E+00
331 1.00000E+00
332 1.00000E+00
333 1.00000E+00
334 1.00000E+00
335 1.00000E+00
336 1.00000E+00
337 1.00000E+00
338 1.00000E+00
339 1.00000E+00
340 1.00000E+00
341 1.00000E+00
342 1.00000E+00
343 1.00000E+00
344 1.00000E+00
345 1.00000E+00
346 1.00000E+00
347 1.00000E+00
348 1.00000E+00
349 1.00000E+00
350 1.00000E+00
351 1.00000E+00
352 1.00000E+00
353 1.00000E+00
354 1.00000E+00
355 1.00000E+00
356 1.00000E+00
357 1.00000E+00
358 1.00000E+00
359 1.00000E+00
360 1.00000E+00
361 1.00000E+00
362 1.00000E+00
363 1.00000E+00
364 1.00000E+00
365 1.00000E+00
366 1.00000E+00
367 1.00000E+00
368 1.00000E+00
369 1.00000E+00
370 1.00000E+00
371 1.00000E+00
372 1.00000E+00
373 1.00000E+00
374 1.00000E+00
375 1.00000E+00
376 1.00000E+00
377 1.00000E+00
378 1.00000E+00
379 1.00000E+00
380 1.00000E+00
381 1.00000E+00
382 1.00000E+00
383 1.00000E+00
384 1.00000E+00
385 1.00000E+00
386 1.00000E+00
387 1.00000E+00
388 1.00000E+00
389 1.00000E+00
390 1.00000E+00
391 1.00000E+00
392 1.00000E+00
393 1.00000E+00
394 1.00000E+00
395 1.00000E+00
396 1.00000E+00
397 1.00000E+00
398 1.00000E+00
399 1.00000E+00
400 1.00000E+00
401 1.00000E+00
402 1.00000E+00
403 1.00000E+00
404 1.00000E+00
405 1.00000E+00
406 1.00000E+00
407 1.00000E+00
408 1.00000E+00
409 1.00000E+00
410 1.00000E+00
411 1.00000E+00
412 1.00000E+00
413 1.00000E+00
414 1.00000E+00
415 1.00000E+00
416 1.00000E+00
417 1.00000E+00
418 1.00000E+00
419 1.00000E+00
420 1.00000E+00
421 1.00000E+00
422 1.00000E+00
423 1.00000E+00
424 1.00000E+00
425 1.00000E+00
426 1.00000E+00
427 1.00000E+00
428 1.00000E+00
429 1.00000E+00
430 1.00000E+00
431 1.00000E+00
432 1.00000E+00
433 1.00000E+00
434 1.00000E+00
435 1.00000E+00
436 1.00000E+00
437 1.00000E+00
438 1.00000E+00
439 1.00000E+00
440 1.00000E+00
441 1.00000E+00
442 1.00000E+00
443 1.00000E+00
444 1.00000E+00
445 1.00000E+00
446 1.00000E+00
447 1.00000E+00
448 1.00000E+00
449 1.00000E+00
450 1.00000E+00
451 1.00000E+00
452 1.00000E+00
453 1.00000E+00
454 1.00000E+00
455 1.00000E+00
456 1.00000E+00
457 1.00000E+00
458 1.00000E+00
459 1.00000E+00
460 1.00000E+00
461 1.00000E+00
462 1.00000E+00
463 1.00000E+00
464 1.00000E+00
465 1.00000E+00
466 1.00000E+00
467 1.00000E+00
468 1.00000E+00
469 1.00000E+00
470 1.00000E+00
471 1.00000E+00
472 1.00000E+00
473 1.00000E+00
474 1.00000E+00
475 1.00000E+00
476 1.00000E+00
477 1.00000E+00
478 1.00000E+00
479 1.00000E+00
480 1.00000E+00
481 1.00000E+00
482 1.00000E+00
483 1.00000E+00
484 1.00000E+00
485 1.00000E+00
486 1.00000E+00
487 1.00000E+00
488 1.00000E+00
489 1.00000E+00
490 1.00000E+00
491 1.00000E+00
492 1.00000E+00
493 1.00000E+00
494 1.00000E+00
495 1.00000E+00
496 1.00000E+00
497 1.00000E+00
498 1.00000E+00
499 1.00000E+00
500 1.00000E+00
501 1.00000E+00
502 1.00000E+00
503 1.00000E+00
504 1.00000E+00
505 1.00000E+00
506 1.00000E+00
507 1.00000E+00
508 1.00000E+00
509 1.00000E+00
510 1.00000E+00
511 1.00000E+00
512 1.00000E+00
513 1.00000E+00
514 1.00000E+00
515 1.00000E+00
516 1.00000E+00
517 1.00000E+00
518 1.00001E+00
519 1.00001E+00
520 1.00001E+00
521 1.00001E+00
522 1.00001E+00
523 1.00001E+00
524 1.00001E+00
525 1.00001E+00
526 1.00001E+00
527 1.00001E+00
528 1.00001E+00
529 1.00001E+00
530 1.00001E+00
531 1.00001E+00
532 1.00001E+00
533 1.00001E+00
534 1.00001E+00
535 1.00001E+00
536 1.00002E+00
537 1.00002E+00
538 1.00002E+00
539 1.00005E+00
540 1.00007E+00
541 1.00014E+00
542 1.00020E+00
543 1.00268E+00
544 1.00300E+00
545 1.00404E+00
546 1.00958E+00
ERROR largest abs(1-numerical/analytical) 0.0608490000
greater than 0.025