6.72s
Test: UNRES_CHECKGRAD1_dfa
(Failed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR
(dell15)
on 2020-04-09 23:12:06
Repository revision: fb796f6ccc7879c3ae3d07e87499aaa430469deb
Show Command Line/users/local/mpich-3.3.1_intel/bin/mpiexec "-np" "1" "/tmp/cdash/devel/build/source/unres/src-HCD-5D/test_prota_E0LL2Y.sh" "checkgrad_dfa" "1"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
1
indpdb= 42 pdbref= T
Call Read_Bridge.
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
read_dfa_info finished!
ns= 0
Calling CHECK_ECARTINT 1.000D-04
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
CG processor 0 is finishing work.
Bye Bye...
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
376 0.00000E+00
377 0.00000E+00
378 0.00000E+00
379 0.00000E+00
380 0.00000E+00
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
ERROR largest abs(1-numerical/analytical) 1.0000000000
greater than 0.025