6.02s
Test: UNRES_CHECKGRAD1_dfa
(Failed)
Build: homology Linux-pgi-MPI E0LL2Y
(dell15)
on 2018-04-19 04:26:35
Repository revision: 0d3fa3de578ae1d471373f52bc99bc0fd825f353
Show Command Line/opt/pgi/linux86-64/2017/mpi/openmpi/bin/mpirun "-np" "1" "/tmp/cdash/homology/build/source/unres/src_MD/dfa/test_prota_E0LL2Y.sh" "checkgrad_dfa" "1"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries,
but each of them failed. CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with
--mca mpi_cuda_support 0 to suppress this message. If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
nodes 1 rank 0
Processor 0 out of 1 rank in CG_COMM 0
size of CG_COMM 1 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initialize thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
MPI: node= 0 iseed= -3059742
indpdb= 42 pdbref= T
Call Read_Bridge.
ns= 0
ishiftca= 1 ilastca= 76
init_dfa_vars finished!
read_dfa_info finished!
Processor 0 0 0 ivec_start 1
ivec_end 76
Processor 0 0 0 ivec_start 1
ivec_end 76
icheckgrad= 1
CG processor 0 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_overflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Largest abs(1-numerical/analytical)= 145253
Sorted:
1 -4.68127E+04
2 -1.29938E+03
3 -1.13977E+03
4 -7.96315E+02
5 -6.76960E+02
6 -4.65520E+02
7 -2.69861E+02
8 -1.65411E+02
9 -1.54257E+02
10 -1.37753E+02
11 -1.28281E+02
12 -1.16225E+02
13 8.97512E-01
14 9.93680E-01
15 9.95607E-01
16 9.96297E-01
17 9.97106E-01
18 9.97125E-01
19 9.98176E-01
20 9.98585E-01
21 9.98722E-01
22 9.98955E-01
23 9.99155E-01
24 9.99199E-01
25 9.99275E-01
26 9.99282E-01
27 9.99457E-01
28 9.99532E-01
29 9.99615E-01
30 9.99629E-01
31 9.99664E-01
32 9.99784E-01
33 9.99807E-01
34 9.99843E-01
35 9.99872E-01
36 9.99885E-01
37 9.99896E-01
38 9.99914E-01
39 9.99914E-01
40 9.99933E-01
41 9.99953E-01
42 9.99953E-01
43 9.99968E-01
44 9.99974E-01
45 9.99976E-01
46 9.99977E-01
47 9.99977E-01
48 9.99984E-01
49 9.99985E-01
50 9.99988E-01
51 9.99989E-01
52 9.99990E-01
53 9.99991E-01
54 9.99991E-01
55 9.99997E-01
56 9.99997E-01
57 9.99997E-01
58 9.99997E-01
59 9.99998E-01
60 9.99999E-01
61 9.99999E-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 1.00000E+00
70 1.00000E+00
71 1.00000E+00
72 1.00000E+00
73 1.00000E+00
74 1.00000E+00
75 1.00000E+00
76 1.00000E+00
77 1.00000E+00
78 1.00000E+00
79 1.00000E+00
80 1.00000E+00
81 1.00000E+00
82 1.00000E+00
83 1.00000E+00
84 1.00000E+00
85 1.00000E+00
86 1.00000E+00
87 1.00000E+00
88 1.00000E+00
89 1.00000E+00
90 1.00000E+00
91 1.00000E+00
92 1.00000E+00
93 1.00000E+00
94 1.00000E+00
95 1.00000E+00
96 1.00000E+00
97 1.00000E+00
98 1.00000E+00
99 1.00000E+00
100 1.00000E+00
101 1.00000E+00
102 1.00000E+00
103 1.00000E+00
104 1.00000E+00
105 1.00000E+00
106 1.00000E+00
107 1.00000E+00
108 1.00000E+00
109 1.00000E+00
110 1.00000E+00
111 1.00000E+00
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 1.00001E+00
349 1.00001E+00
350 1.00001E+00
351 1.00001E+00
352 1.00001E+00
353 1.00002E+00
354 1.00003E+00
355 1.00003E+00
356 1.00006E+00
357 1.00006E+00
358 1.00008E+00
359 1.00011E+00
360 1.00011E+00
361 1.00011E+00
362 1.00013E+00
363 1.00014E+00
364 1.00014E+00
365 1.00016E+00
366 1.00017E+00
367 1.00019E+00
368 1.00019E+00
369 1.00028E+00
370 1.00029E+00
371 1.00031E+00
372 1.00032E+00
373 1.00036E+00
374 1.00039E+00
375 1.00045E+00
376 1.00053E+00
377 1.00054E+00
378 1.00056E+00
379 1.00062E+00
380 1.00067E+00
381 1.00080E+00
382 1.00110E+00
383 1.00122E+00
384 1.00187E+00
385 1.00189E+00
386 1.00277E+00
387 1.00387E+00
388 1.00451E+00
389 1.00524E+00
390 1.26335E+01
391 1.28402E+01
392 1.28664E+01
393 1.29005E+01
394 1.29063E+01
395 1.29256E+01
396 1.29570E+01
397 1.29628E+01
398 1.29876E+01
399 1.30307E+01
400 1.30394E+01
401 1.30892E+01
402 1.31002E+01
403 1.31311E+01
404 1.31611E+01
405 1.31826E+01
406 1.31892E+01
407 1.31981E+01
408 1.32641E+01
409 1.33077E+01
410 1.33503E+01
411 1.35225E+01
412 1.38151E+01
413 1.42207E+01
414 1.52671E+01
415 4.08438E+01
416 4.74252E+01
417 4.79984E+01
418 4.82174E+01
419 4.93627E+01
420 5.17287E+01
421 5.41771E+01
422 5.47030E+01
423 5.50844E+01
424 5.76205E+01
425 5.80011E+01
426 5.82340E+01
427 5.87779E+01
428 6.01672E+01
429 6.01866E+01
430 6.04944E+01
431 6.61829E+01
432 9.06397E+01
433 1.04671E+02
434 1.09332E+02
435 1.30405E+02
436 1.34443E+02
437 1.38967E+02
438 1.40038E+02
439 1.44374E+02
440 1.45401E+02
441 1.49152E+02
442 1.56684E+02
443 1.63272E+02
444 1.73711E+02
445 1.80881E+02
446 1.84219E+02
447 1.92411E+02
448 2.52178E+02
449 2.64639E+02
450 2.75990E+02
451 1.30886E+03
452 4.07482E+03
453 1.45254E+05
ERROR largest abs(1-numerical/analytical) 145253.0000000000
greater than 0.0003
-------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[63600,1],0]
Exit code: 1
--------------------------------------------------------------------------
