# Haddock2.4 on multiprocessors?

**URL:** <https://ask.bioexcel.eu/t/haddock2-4-on-multiprocessors/3461>\
**Category:** HADDOCK\
**Created:** [February 18, 2022, 4:23am UTC](https://ask.bioexcel.eu/t/haddock2-4-on-multiprocessors/3461 "2022-02-18T04:23:35Z")\
**Posts on this page:** 7\
**Page:** 1

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**Author:** ![mohammad-khatami](https://avatars.discourse-cdn.com/v4/letter/m/dbc845/32.png) [@mohammad-khatami](https://ask.bioexcel.eu/u/mohammad-khatami)\
**Post date:** [February 18, 2022, 4:23am UTC](https://ask.bioexcel.eu/t/haddock2-4-on-multiprocessors/3461/1 "2022-02-18T04:23:35Z")

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Hello there,  
Is it possible to run haddock2.4 on multiprocessors? using mpi perhaps? I have it running locally on my PC but it only uses 1 CPU.  
Best,  
Mohammad

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**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:** [February 18, 2022, 8:10am UTC](https://ask.bioexcel.eu/t/haddock2-4-on-multiprocessors/3461/2 "2022-02-18T08:10:54Z")

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Of course!

Check the online tutorial for a local installation of haddock2.4:

> **[Tutorial describing the use of a local version of HADDOCK2.4](https://www.bonvinlab.org/education/HADDOCK24/HADDOCK24-local-tutorial/#configuring-haddock)**
>
> A tutorial describing the use a local version HADDOCK2.4

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<div class="post-metadata">

**Author:** ![mohammad-khatami](https://avatars.discourse-cdn.com/v4/letter/m/dbc845/32.png) [@mohammad-khatami](https://ask.bioexcel.eu/u/mohammad-khatami)\
**Post date:** [February 18, 2022, 1:53pm UTC](https://ask.bioexcel.eu/t/haddock2-4-on-multiprocessors/3461/3 "2022-02-18T13:53:32Z")

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I set NUMJOB=4, but still, I get a single cpu running on my PC.

I guess I would need slurm or torque  
? or can I just “set NUMJOB=4” in the configuration file, and when I run the command “haddock2.4” it would execute the code on 4 CPUs?

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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:** [February 18, 2022, 2:14pm UTC](https://ask.bioexcel.eu/t/haddock2-4-on-multiprocessors/3461/4 "2022-02-18T14:14:20Z")

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You will need to reconfigure haddock it you change those parameters

Also make sure to check/change the concat option to 1.

And you can edit the run.cns file and check the value for cpunumber\_1 (this is what is configured when you perform the installation).

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<div class="post-metadata">

**Author:** ![mohammad-khatami](https://avatars.discourse-cdn.com/v4/letter/m/dbc845/32.png) [@mohammad-khatami](https://ask.bioexcel.eu/u/mohammad-khatami)\
**Post date:** [February 18, 2022, 2:46pm UTC](https://ask.bioexcel.eu/t/haddock2-4-on-multiprocessors/3461/5 "2022-02-18T14:46:21Z")

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changing the cpunumber\_1 worked!

not sure what you mean by “Also make sure to check/change the concat option to 1.” where should I do it?

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**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:** [February 18, 2022, 3:39pm UTC](https://ask.bioexcel.eu/t/haddock2-4-on-multiprocessors/3461/6 "2022-02-18T15:39:03Z")

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and bit down the page:

To define the number of concatenated models edit Haddock/Main/QueueSubmit\_concat.py located in the haddock2.4 installation directory and change the values as required:

```auto
jobconcat["0"] = 5
jobconcat["1"] = 1
jobconcat["2"] = 1

```

If running on local system, change all values to 1.

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<div class="post-metadata">

**Author:** ![mohammad-khatami](https://avatars.discourse-cdn.com/v4/letter/m/dbc845/32.png) [@mohammad-khatami](https://ask.bioexcel.eu/u/mohammad-khatami)\
**Post date:** [February 22, 2022, 7:25pm UTC](https://ask.bioexcel.eu/t/haddock2-4-on-multiprocessors/3461/7 "2022-02-22T19:25:42Z")

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Thanks. I will try it out.
