# Local HADDOCK3 errors

**URL:** <https://ask.bioexcel.eu/t/local-haddock3-errors/4325>\
**Category:** HADDOCK\
**Created:** [May 18, 2023, 9:56pm UTC](https://ask.bioexcel.eu/t/local-haddock3-errors/4325 "2023-05-18T21:56:06Z")\
**Posts on this page:** 9\
**Page:** 1

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**Author:** ![zoeyxyang](https://avatars.discourse-cdn.com/v4/letter/z/91b2a8/32.png) [@zoeyxyang](https://ask.bioexcel.eu/u/zoeyxyang)\
**Post date:** [May 18, 2023, 9:56pm UTC](https://ask.bioexcel.eu/t/local-haddock3-errors/4325/1 "2023-05-18T21:56:06Z")

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Hello,

I have installed HADDOCK 3 locally, and I have some questions about the [libutil ERROR].  
I got this error:RuntimeError: 100.00% of output was not generated for this module and tolerance was set to 0.00%.

From the discussions I found on Github, it sounds to me that the issue is coming from CNS.  
However, I am pretty sure I installed the CNS correctly, so I am wondering what could be the issue.  
(I have installed the cns software following the instructions here: [[haddock3/CNS.md at main · haddocking/haddock3 · GitHub](https://github.com/haddocking/haddock3/blob/main/docs/CNS.md)])

In my cfg file, I have also defined:  
cns\_exec = “~/haddock3/bin/cns” (This path is linked to the executable in cns\_solve\_1.3)

Could you please let me know how I can try to identify the problem? Thank you!!

**Below is the full log file:**  
Traceback (most recent call last):  
File “~~/haddock3/src/haddock/libs/libutil.py”, line 310, in log\_error\_and\_exit  
yield  
File “~~/haddock3/src/haddock/clis/cli.py”, line 178, in main  
workflow.run()  
File “~~/haddock3/src/haddock/libs/libworkflow.py”, line 38, in run  
step.execute()  
File “~~/haddock3/src/haddock/libs/libworkflow.py”, line 140, in execute  
self.module.run()  
File “~~/haddock3/src/haddock/modules/base\_cns\_module.py”, line 59, in run  
self.\_run()  
File “~~/haddock3/src/haddock/modules/topology/topoaa/ **init**.py”, line 250, in \_run  
self.export\_output\_models(faulty\_tolerance=self.params[“tolerance”])  
File “~~/haddock3/src/haddock/modules/ **init**.py”, line 269, in export\_output\_models  
self.finish\_with\_error(\_msg)  
File “~~/haddock3/src/haddock/modules/ **init**.py”, line 278, in finish\_with\_error  
raise RuntimeError(reason)  
RuntimeError: 100.00% of output was not generated for this module and tolerance was set to 0.00%.  
[2023-05-17 16:08:59,665 libutil ERROR] 100.00% of output was not generated for this module and tolerance was set to 0.00%.  
[2023-05-17 16:08:59,665 libutil ERROR] An error has occurred, see log file. And contact the developers if needed.  
[2023-05-17 16:08:59,665 libutil INFO] Finished at 17/05/2023 16:08:59. For any help contact us at [Issues · haddocking/haddock3 · GitHub](https://github.com/haddocking/haddock3/issues). At logo! Adu-siau! Good bye!.

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<div class="post-metadata">

**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:** [May 19, 2023, 3:12pm UTC](https://ask.bioexcel.eu/t/local-haddock3-errors/4325/2 "2023-05-19T15:12:42Z")

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First thing to check is if your CNS executable works fine.

Try simply calling from the terminal the cns exec you defined in the bin directory.  
if it starts correctly you should see something like:

```auto

```

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<div class="post-metadata">

**Author:** ![zoeyxyang](https://avatars.discourse-cdn.com/v4/letter/z/91b2a8/32.png) [@zoeyxyang](https://ask.bioexcel.eu/u/zoeyxyang)\
**Post date:** [May 19, 2023, 3:47pm UTC](https://ask.bioexcel.eu/t/local-haddock3-errors/4325/3 "2023-05-19T15:47:52Z")

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Thank you for the response!

# I tried executing “~/haddock3/bin/cns”, and it works. I got the following:

```
      | |
      | Crystallography & NMR System (CNS) |
      | CNSsolve |
      | |
      ============================================================
       Version: 1.3
       Status: General release
      ============================================================
       Written by: A.T.Brunger, P.D.Adams, G.M.Clore, W.L.DeLano,
                   P.Gros, R.W.Grosse-Kunstleve,J.-S.Jiang,J.M.Krahn,
                   J.Kuszewski, M.Nilges, N.S.Pannu, R.J.Read,
                   L.M.Rice, G.F.Schroeder, T.Simonson, G.L.Warren.
       Copyright (c) 1997-2010 Yale University
      ============================================================

```

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<div class="post-metadata">

**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:** [May 19, 2023, 6:37pm UTC](https://ask.bioexcel.eu/t/local-haddock3-errors/4325/4 "2023-05-19T18:37:57Z")

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Nest step is then to search for error messages in the out files of the 0\_topoaa directory

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**Author:** ![zoeyxyang](https://avatars.discourse-cdn.com/v4/letter/z/91b2a8/32.png) [@zoeyxyang](https://ask.bioexcel.eu/u/zoeyxyang)\
**Post date:** [May 19, 2023, 7:33pm UTC](https://ask.bioexcel.eu/t/local-haddock3-errors/4325/5 "2023-05-19T19:33:05Z")

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Hello,

My out files from the 0\_topoaa directory have the following error:

%AUTOAN error encountered: exceeded MXRTT (RTF) parameter → recompile program  
(CNS is in mode: SET ABORT=NORMal END)

* * *

ABORT mode will terminate program execution.

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<div class="post-metadata">

**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:** [May 19, 2023, 8:50pm UTC](https://ask.bioexcel.eu/t/local-haddock3-errors/4325/6 "2023-05-19T20:50:08Z")

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Did you recompile cns with the provided cns routines?

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<div class="post-metadata">

**Author:** ![zoeyxyang](https://avatars.discourse-cdn.com/v4/letter/z/91b2a8/32.png) [@zoeyxyang](https://ask.bioexcel.eu/u/zoeyxyang)\
**Post date:** [May 20, 2023, 5:13am UTC](https://ask.bioexcel.eu/t/local-haddock3-errors/4325/7 "2023-05-20T05:13:40Z")

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I didn’t because I was getting some errors when I tried to install using the instructions in the haddock guide, so I just followed the instructions on the cns website.

Now I am trying to reinstall CNS following the haddock [guide](https://github.com/haddocking/haddock3/blob/main/docs/CNS.md)

Currently, I modified the path of CNS\_SOLVE in **both**.cns\_solve\_env\_sh and cns\_solve\_env  
It seems like the software is executing cns\_solve\_env even though my system is in bash.  
(Reason is that if I only modify the path in .cns\_solve\_env\_sh, it gives the errors:  
“environmental variable $CNS\_SOLVE has been defined incorrectly  
this variable is set in cns\_solve\_env - modify this file”)

So after modifying the path in both .cns\_solve\_env\_sh and cns\_solve\_env, when I do make install in **3. Compile CNS** in the instruction,  
it gave me a lot of errors like: " **Error:** Type mismatch in argument ‘ **deriv** ’ at **(1)**; passed INTEGER(8) to REAL(8)".

Any suggestions are appreciated!

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<div class="post-metadata">

**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:** [May 20, 2023, 8:23am UTC](https://ask.bioexcel.eu/t/local-haddock3-errors/4325/8 "2023-05-20T08:23:14Z")

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Check the instructions at: [https://www.bonvinlab.org/haddock3/CNS.html#5-Check-installation](https://www.bonvinlab.org/haddock3/CNS.html#5-Check-installation)

Important is to change the content of the Makefile (and use gfortran) (read the Makefile section in the above link)

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<div class="post-metadata">

**Author:** ![zoeyxyang](https://avatars.discourse-cdn.com/v4/letter/z/91b2a8/32.png) [@zoeyxyang](https://ask.bioexcel.eu/u/zoeyxyang)\
**Post date:** [May 23, 2023, 3:55pm UTC](https://ask.bioexcel.eu/t/local-haddock3-errors/4325/9 "2023-05-23T15:55:23Z")

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That works. Thank you so much!
