2.46s
Test: UNRES_M_CHECKGRAD1_prota
(Failed)
Build: homology Linux-pgi-MPI E0LL2Y
(dell15)
on 2017-11-19 04:20:47
Repository revision: 2e4664425cf99771a8d398073b3c546df52e111b
Show Command Line/opt/pgi/linux86-64/2017/mpi/openmpi/bin/mpirun "-np" "1" "/tmp/cdash/homology/build/source/unres/src_MD-M/test_prota_E0LL2Y.sh" "prota_CHECKGRAD" "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.
--------------------------------------------------------------------------
MPI: node= 0 iseed= -3059742
indpdb= 16 pdbref= T
0.000000000000000 0.000000000000000
45 46 47
1.975000000000001 -2.016999999999999
45 46 47
-0.8720000000000000 -3.216000000000000
45 46 47
3.169000000000000 0.4340000000000002
just before leave
0.000000000000000 0.000000000000000
2 3 4
0.9150000000000000 -1.552000000000000
2 3 4
3.316000000000000 2.116000000000000
2 3 4
-1.558000000000000 2.759000000000000
just before leave
Call Read_Bridge.
ns= 0
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)= 0.040807
Sorted:
1 9.59193E-01
2 9.99565E-01
3 9.99883E-01
4 9.99936E-01
5 9.99950E-01
6 9.99950E-01
7 9.99976E-01
8 9.99985E-01
9 9.99987E-01
10 9.99988E-01
11 9.99991E-01
12 9.99992E-01
13 9.99992E-01
14 9.99992E-01
15 9.99993E-01
16 9.99993E-01
17 9.99993E-01
18 9.99993E-01
19 9.99994E-01
20 9.99994E-01
21 9.99995E-01
22 9.99995E-01
23 9.99996E-01
24 9.99996E-01
25 9.99996E-01
26 9.99996E-01
27 9.99996E-01
28 9.99996E-01
29 9.99996E-01
30 9.99996E-01
31 9.99997E-01
32 9.99997E-01
33 9.99997E-01
34 9.99997E-01
35 9.99997E-01
36 9.99997E-01
37 9.99997E-01
38 9.99997E-01
39 9.99997E-01
40 9.99997E-01
41 9.99998E-01
42 9.99998E-01
43 9.99998E-01
44 9.99998E-01
45 9.99998E-01
46 9.99998E-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 9.99999E-01
59 9.99999E-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 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 9.99999E-01
113 9.99999E-01
114 9.99999E-01
115 9.99999E-01
116 9.99999E-01
117 9.99999E-01
118 9.99999E-01
119 9.99999E-01
120 9.99999E-01
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 1.00001E+00
261 1.00001E+00
262 1.00001E+00
263 1.00001E+00
264 1.00001E+00
265 1.00001E+00
266 1.00001E+00
267 1.00001E+00
268 1.00001E+00
269 1.00001E+00
270 1.00001E+00
271 1.00001E+00
272 1.00002E+00
273 1.00002E+00
274 1.00002E+00
275 1.00003E+00
276 1.00003E+00
277 1.00004E+00
278 1.00004E+00
279 1.03634E+00
ERROR largest abs(1-numerical/analytical) 0.0408070000
greater than 0.0005
-------------------------------------------------------
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: [[35781,1],0]
Exit code: 1
--------------------------------------------------------------------------