3.36s
Test: UNRES_M_multi_checkgrad
(Failed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR
(dell15)
on 2020-03-27 04:28:05
Repository revision: 88fb48306668af16f9c3593176db04bd83d935f8
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
STOP Bye Bye...
STOP Bye Bye...
2
2
indpdb= 16 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
ATU 3
Calling CHECK_ECARTINT 1.000D-04
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Total wall clock time 3.2921590805053711 sec
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Processor 0 BROADCAST time 3.1096935272216797E-003 REDUCE time 3.1378269195556641E-003 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 0.51189494132995605 BARRIER grad 2.1457672119140625E-006
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ] 7.3695182800292969E-004 order[ 1 ] 6.0134700169990685E-154 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 6.0134700169990685E-154 order[ 5 ] 6.0134700169990685E-154 order[ 6 ] 6.9530907729792977E-310 order[ 7 ] 3.0856132507324219E-003 order[ 8 ] 6.9530907729792977E-310 order[ 9 ] 2.3446372238769402E-310 order[ 10 ] 6.0134700169990685E-154
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
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28 0.00000E+00
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31 0.00000E+00
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60 0.00000E+00
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63 -0.00000E+00
64 0.00000E+00
65 0.00000E+00
66 0.00000E+00
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70 -0.00000E+00
71 -0.00000E+00
72 0.00000E+00
73 0.00000E+00
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75 0.00000E+00
76 0.00000E+00
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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
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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
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122 0.00000E+00
123 0.00000E+00
124 0.00000E+00
125 0.00000E+00
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127 0.00000E+00
128 0.00000E+00
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140 0.00000E+00
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185 0.00000E+00
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204 0.00000E+00
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207 0.00000E+00
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221 0.00000E+00
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223 0.00000E+00
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229 0.00000E+00
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231 0.00000E+00
232 0.00000E+00
233 -0.00000E+00
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256 0.00000E+00
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258 -0.00000E+00
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260 0.00000E+00
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262 0.00000E+00
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268 0.00000E+00
269 0.00000E+00
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271 0.00000E+00
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273 0.00000E+00
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279 0.00000E+00
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283 0.00000E+00
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286 0.00000E+00
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290 0.00000E+00
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292 0.00000E+00
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297 0.00000E+00
298 0.00000E+00
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324 0.00000E+00
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330 0.00000E+00
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333 -0.00000E+00
334 0.00000E+00
335 0.00000E+00
336 0.00000E+00
337 0.00000E+00
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431 0.00000E+00
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434 0.00000E+00
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436 0.00000E+00
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438 0.00000E+00
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440 -0.00000E+00
441 0.00000E+00
442 0.00000E+00
443 -0.00000E+00
444 -0.00000E+00
445 0.00000E+00
446 0.00000E+00
447 0.00000E+00
448 0.00000E+00
449 -0.00000E+00
450 -0.00000E+00
451 -0.00000E+00
452 -0.00000E+00
453 0.00000E+00
454 -0.00000E+00
455 0.00000E+00
456 0.00000E+00
457 -0.00000E+00
458 -0.00000E+00
459 -0.00000E+00
460 0.00000E+00
461 0.00000E+00
462 0.00000E+00
463 -0.00000E+00
464 -0.00000E+00
465 0.00000E+00
466 -0.00000E+00
467 -0.00000E+00
468 -0.00000E+00
469 0.00000E+00
470 0.00000E+00
471 0.00000E+00
472 0.00000E+00
473 0.00000E+00
474 0.00000E+00
475 -0.00000E+00
476 -0.00000E+00
477 0.00000E+00
478 -0.00000E+00
479 -0.00000E+00
480 -0.00000E+00
481 -0.00000E+00
482 0.00000E+00
483 -0.00000E+00
484 -0.00000E+00
485 -0.00000E+00
486 0.00000E+00
487 0.00000E+00
488 -0.00000E+00
489 -0.00000E+00
490 0.00000E+00
491 -0.00000E+00
492 -0.00000E+00
493 -0.00000E+00
494 -0.00000E+00
495 0.00000E+00
496 0.00000E+00
497 -0.00000E+00
498 -0.00000E+00
499 -0.00000E+00
500 0.00000E+00
501 -0.00000E+00
502 -0.00000E+00
503 -0.00000E+00
504 0.00000E+00
505 0.00000E+00
506 0.00000E+00
507 -0.00000E+00
508 -0.00000E+00
509 -0.00000E+00
510 -0.00000E+00
511 0.00000E+00
512 0.00000E+00
513 -0.00000E+00
514 0.00000E+00
515 -0.00000E+00
516 0.00000E+00
517 -0.00000E+00
518 -0.00000E+00
519 -0.00000E+00
520 0.00000E+00
521 -0.00000E+00
522 -0.00000E+00
523 0.00000E+00
524 0.00000E+00
525 0.00000E+00
526 -0.00000E+00
527 0.00000E+00
528 -0.00000E+00
529 0.00000E+00
530 -0.00000E+00
531 -0.00000E+00
532 -0.00000E+00
533 0.00000E+00
534 -0.00000E+00
535 0.00000E+00
536 0.00000E+00
537 -0.00000E+00
538 0.00000E+00
539 0.00000E+00
540 0.00000E+00
541 -0.00000E+00
542 0.00000E+00
543 0.00000E+00
544 0.00000E+00
545 -0.00000E+00
546 -0.00000E+00
ERROR largest abs(1-numerical/analytical) 1.0000000000
greater than 0.025