# Haddock\_end\_of\_it1\_failed **URL:** \ **Category:** HADDOCK\ **Created:** [July 27, 2020, 7:33am UTC](https://ask.bioexcel.eu/t/haddock-end-of-it1-failed/2361 "2020-07-27T07:33:53Z")\ **Posts on this page:** 6\ **Page:** 1
**Author:** ![karol](https://avatars.discourse-cdn.com/v4/letter/k/977dab/32.png) [@karol](https://ask.bioexcel.eu/u/karol)\ **Post date:** [July 27, 2020, 7:33am UTC](https://ask.bioexcel.eu/t/haddock-end-of-it1-failed/2361/1 "2020-07-27T07:33:53Z")
Dear All, My job crashed. I checked the haddock.out and there I found: ## Structure 6: failed Structure 12: failed Structure 16: failed Structure 20: failed Structure 24: failed Structure 34: failed Structure 40: failed Structure 44: failed Structure 50: failed Structure 54: failed Structure 58: failed Structure 64: failed Structure 68: failed Structure 72: failed Structure 82: failed Structure 88: failed Structure 92: failed Structure 98: failed Structure 104: failed Structure 108: failed Structure 112: failed Structure 116: failed Structure 122: failed Structure 126: failed Structure 132: failed Structure 140: failed Structure 144: failed The following structures have failed: [6, 12, 16, 20, 24, 34, 40, 44, 50, 54, 58, 64, 68, 72, 82, 88, 92, 98, 104, 108, 112, 116, 122, 126, 132, 140, 144] Only a flexible energy minimization will be performed. Restarting structures… Time-out of structure 6 Time-out of structure 12 Time-out of structure 16 Time-out of structure 20 Time-out of structure 24 Time-out of structure 34 Time-out of structure 40 Time-out of structure 44 Time-out of structure 50 Time-out of structure 54 Time-out of structure 58 Time-out of structure 64 Time-out of structure 68 Time-out of structure 72 Time-out of structure 82 Time-out of structure 88 Time-out of structure 92 Time-out of structure 98 Time-out of structure 104 Time-out of structure 108 Time-out of structure 112 Time-out of structure 116 Time-out of structure 122 Time-out of structure 126 Time-out of structure 132 Time-out of structure 140 Time-out of structure 144 HADDOCK cannot continue due to failed structures in it1 HADDOCK could not copy failed structures from previous iteration The following structures could not be docked: [6, 12, 16, 20, 24, 34, 40, 44, 50, 54, 58, 64, 68, 72, 82, 88, 92, 98, 104, 108, 112, 116, 122, 126, 132, 140, 144] ############################################################################## Finishing HADDOCK on: 2020-07-27 09:10:14 Au revoir. Tot ziens. Bye bye. Cleaning up HADDOCK run directory Only files for structure #1 will be kept… Can you tell me what this message means and how to get rid of this error? thanks karol ---
**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\ **Post date:** [July 27, 2020, 8:43am UTC](https://ask.bioexcel.eu/t/haddock-end-of-it1-failed/2361/2 "2020-07-27T08:43:22Z")
You have many structures failing - probably indicating some issues in the starting structures, or a problem with your restraints. If running locally you might clean the run (e.g. remove all it1 files in the run directory) and restart HADDOCK. If running on the server, check carefully your input data. ---
**Author:** ![karol](https://avatars.discourse-cdn.com/v4/letter/k/977dab/32.png) [@karol](https://ask.bioexcel.eu/u/karol)\ **Post date:** [July 27, 2020, 10:15am UTC](https://ask.bioexcel.eu/t/haddock-end-of-it1-failed/2361/3 "2020-07-27T10:15:45Z")
Hi thanks. I would say restraints as other run with different combination of the same restraints completed successfully. In this particular run that crashed, I dock with centroid restraints on both fixed and scanning probe. Both assigned to be unambiguous. This is not necessary true, as only, one of them, that is centroid of scanning probe, is really unambigous. And I think that it fails because centroid on fixed chain violates all other restraints to much. I will wait until other runs complete and based on that try to draw some conclusions. Please, do not close this ticket, as I might inquire with more specific comments in future. kind regards karol ---
**Author:** ![karol](https://avatars.discourse-cdn.com/v4/letter/k/977dab/32.png) [@karol](https://ask.bioexcel.eu/u/karol)\ **Post date:** [July 30, 2020, 8:02am UTC](https://ask.bioexcel.eu/t/haddock-end-of-it1-failed/2361/4 "2020-07-30T08:02:49Z")
HI One question: I assume that when I use option of “Number of partitions for random exclusions” the code tries ALL possible combinations of these restraints? I mean: lets assume that I have 20 distance restraints and the “Number of partitions for random exclusion” = 5. This would mean that haddock runs 5 “parallel” runs, each time excluding 4 restraints or it runs **ALL** possible combinations of 5? thanks ---
**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\ **Post date:** [July 30, 2020, 8:20am UTC](https://ask.bioexcel.eu/t/haddock-end-of-it1-failed/2361/5 "2020-07-30T08:20:09Z")
The restraints are randomly partitioned. In you example, for each model 5 restraints would be discarded. But it is not a systematic evaluation of all combinations (would simply not be doable). Also it is not 5 parallel runs, but one in which each model is using a different subset of the restraints. ---
**Author:** ![karol](https://avatars.discourse-cdn.com/v4/letter/k/977dab/32.png) [@karol](https://ask.bioexcel.eu/u/karol)\ **Post date:** [July 30, 2020, 8:34am UTC](https://ask.bioexcel.eu/t/haddock-end-of-it1-failed/2361/6 "2020-07-30T08:34:29Z")
Thank you very much. Very helpful. cheers