# Please consider rebuilding gmx mdrun with the GMX\_USE\_RDTSCP=ON CMake option

**URL:** https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291
**Category:** User discussions
**Created:** [June 11, 2020, 8:44pm UTC](https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291 "2020-06-11T20:44:56Z")
**Posts on this page:** 9
**Page:** 1

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### Author: ![kastriotademi](https://avatars.discourse-cdn.com/v4/letter/k/5fc32e/32.png) [@kastriotademi](https://gromacs.bioexcel.eu/u/kastriotademi)
#### Post date: [June 11, 2020, 8:44pm UTC](https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291/1 "2020-06-11T20:44:56Z")

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GROMACS version: 2020.1  
GROMACS modification: Yes/No

 ![Screenshot from 2020-06-11 02-31-03](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/1X/090386fc5de3af7c2bdfe058206f67738ac30d31.png)  
I installed Gromacs 2020.1 using following tutorial [https://www.youtube.com/watch?v=eoyKCIpxP4c](https://www.youtube.com/watch?v=eoyKCIpxP4c)  
During the protein-ligand MD simulations, I am facing problem with energy minimization step, and getting the suggestion from gromacs "" **Please consider rebuilding gmx mdrun with the GMX\_USE\_RDTSCP=ON CMake option"'**  
Could you please suggest how to fix this problem.

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### Author: ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)
#### Post date: [June 12, 2020, 10:02am UTC](https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291/2 "2020-06-12T10:02:44Z")

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By doing what the note indicates - recompiling GROMACS and adding `-DGMX_USE_RDTSCP=ON` in your `cmake` command. The official GROMACS installation guide discusses this and other options, as well as how to invoke them.

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### Author: ![kastriotademi](https://avatars.discourse-cdn.com/v4/letter/k/5fc32e/32.png) [@kastriotademi](https://gromacs.bioexcel.eu/u/kastriotademi)
#### Post date: [June 12, 2020, 9:10pm UTC](https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291/3 "2020-06-12T21:10:27Z")

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I re-installed gromacs2020.2 by official gromacs guide, using cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_USE\_RDTSCP=ON -DGMX\_GPU=off (since my laptop doesn`t use GPU) but still have the same error

 ![Screenshot from 2020-06-12 22-28-50](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/1X/2992d08e74a5b47ab7797acafd73fa085ca67a63.png)

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### Author: ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)
#### Post date: [June 12, 2020, 9:27pm UTC](https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291/4 "2020-06-12T21:27:19Z")

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What is the system you are trying to minimize? If it’s physically unstable, the `mdrun` process could abort like this. Did the regression tests all pass? Have you tried working on another system (like a tutorial) with this build of GROMACS?

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### Author: ![kastriotademi](https://avatars.discourse-cdn.com/v4/letter/k/5fc32e/32.png) [@kastriotademi](https://gromacs.bioexcel.eu/u/kastriotademi)
#### Post date: [June 12, 2020, 9:29pm UTC](https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291/5 "2020-06-12T21:29:44Z")

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Not tried. I just lysozome in water and did successfully.  
This is an abort without a single error, I really dont understand

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### Author: ![kastriotademi](https://avatars.discourse-cdn.com/v4/letter/k/5fc32e/32.png) [@kastriotademi](https://gromacs.bioexcel.eu/u/kastriotademi)
#### Post date: [June 12, 2020, 9:30pm UTC](https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291/6 "2020-06-12T21:30:15Z")

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system is protein-ligand, I working with 6VSB and a ligand,

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### Author: ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)
#### Post date: [June 12, 2020, 9:47pm UTC](https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291/7 "2020-06-12T21:47:57Z")

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[http://manual.gromacs.org/current/user-guide/terminology.html#diagnosing-an-unstable-system](http://manual.gromacs.org/current/user-guide/terminology.html#diagnosing-an-unstable-system)

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### Author: ![kastriotademi](https://avatars.discourse-cdn.com/v4/letter/k/5fc32e/32.png) [@kastriotademi](https://gromacs.bioexcel.eu/u/kastriotademi)
#### Post date: [June 13, 2020, 8:02am UTC](https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291/8 "2020-06-13T08:02:35Z")

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I am trying protein-ligand gromacs tutorial and it is working correctly without any errors or abort. Maybe the problem is with my system (protein or ligand)

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### Author: ![kastriotademi](https://avatars.discourse-cdn.com/v4/letter/k/5fc32e/32.png) [@kastriotademi](https://gromacs.bioexcel.eu/u/kastriotademi)
#### Post date: [June 13, 2020, 9:35am UTC](https://gromacs.bioexcel.eu/t/please-consider-rebuilding-gmx-mdrun-with-the-gmx-use-rdtscp-on-cmake-option/291/10 "2020-06-13T09:35:53Z")

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And what exactly meas: **non-default thread affinity set disabling internal thread affinity**
