0.48s
Test: UNRES_M_CHECKGRAD_prota
(Passed)
Build: devel Linux-ifort-MPI_no5D NEWCORR
(dell15)
on 2024-04-16 05:21:33
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/unres/src_MD-M-SAXS-homology/test_mpi_E0LL2Y.sh" "prota_CHECKGRAD" "2" "2"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
Bye Bye...
Bye Bye...
2
2
indpdb= 16 pdbref= T
0.000000000000000E+000 0.000000000000000E+000
45 46 47
1.97500000000000 -2.01700000000000
45 46 47
-0.872000000000000 -3.21600000000000
45 46 47
3.16900000000000 0.434000000000000
0.000000000000000E+000 0.000000000000000E+000
2 3 4
0.915000000000000 -1.55200000000000
2 3 4
3.31600000000000 2.11600000000000
2 3 4
-1.55800000000000 2.75900000000000
0.000000000000000E+000 0.000000000000000E+000
45 46 47
1.97500000000000 -2.01700000000000
45 46 47
-0.872000000000000 -3.21600000000000
45 46 47
3.16900000000000 0.434000000000000
0.000000000000000E+000 0.000000000000000E+000
2 3 4
0.915000000000000 -1.55200000000000
2 3 4
3.31600000000000 2.11600000000000
2 3 4
-1.55800000000000 2.75900000000000
ns= 0
Call Read_Bridge.
ns= 0
ATU 3
Calling CHECK_ECARTINT 1.000D-04
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Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
2.837181091308594E-004 order[ 1 ] 0.000000000000000E+000 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 0.000000000000000E+000 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 1.888275146484375E-003 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Total wall clock time 0.295490026473999 sec
Processor 0 BROADCAST time 1.251697540283203E-003 REDUCE time
9.093284606933594E-004 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
1.545357704162598E-002 BARRIER grad 1.907348632812500E-006
CG processor 0 is finishing work.
Largest abs(1-numerical/analytical)= 0.00141
Sorted:
1 9.99024E-01
2 9.99622E-01
3 9.99901E-01
4 9.99909E-01
5 9.99933E-01
6 9.99934E-01
7 9.99955E-01
8 9.99961E-01
9 9.99968E-01
10 9.99969E-01
11 9.99973E-01
12 9.99975E-01
13 9.99983E-01
14 9.99984E-01
15 9.99985E-01
16 9.99986E-01
17 9.99987E-01
18 9.99987E-01
19 9.99988E-01
20 9.99990E-01
21 9.99990E-01
22 9.99990E-01
23 9.99991E-01
24 9.99994E-01
25 9.99994E-01
26 9.99994E-01
27 9.99994E-01
28 9.99994E-01
29 9.99995E-01
30 9.99995E-01
31 9.99996E-01
32 9.99996E-01
33 9.99996E-01
34 9.99996E-01
35 9.99996E-01
36 9.99996E-01
37 9.99996E-01
38 9.99996E-01
39 9.99996E-01
40 9.99996E-01
41 9.99996E-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 9.99999E-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 1.00000E+00
80 1.00000E+00
81 1.00000E+00
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84 1.00000E+00
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86 1.00000E+00
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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
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99 1.00000E+00
100 1.00000E+00
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102 1.00000E+00
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108 1.00000E+00
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125 1.00000E+00
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127 1.00000E+00
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263 1.00001E+00
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265 1.00001E+00
266 1.00001E+00
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268 1.00001E+00
269 1.00001E+00
270 1.00001E+00
271 1.00001E+00
272 1.00001E+00
273 1.00001E+00
274 1.00001E+00
275 1.00002E+00
276 1.00002E+00
277 1.00007E+00
278 1.00016E+00
279 1.00141E+00