# Error when running gmx 2023.1 mdrun with GPU

**URL:** <https://gromacs.bioexcel.eu/t/error-when-running-gmx-2023-1-mdrun-with-gpu/6731>\
**Category:** User discussions\
**Tags:** mdrun\
**Created:** [July 3, 2023, 1:30am UTC](https://gromacs.bioexcel.eu/t/error-when-running-gmx-2023-1-mdrun-with-gpu/6731 "2023-07-03T01:30:06Z")\
**Posts on this page:** 4\
**Page:** 1

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**Author:** ![joshemuel](https://avatars.discourse-cdn.com/v4/letter/j/fbc32d/32.png) [@joshemuel](https://gromacs.bioexcel.eu/u/joshemuel)\
**Post date:** [July 3, 2023, 1:30am UTC](https://gromacs.bioexcel.eu/t/error-when-running-gmx-2023-1-mdrun-with-gpu/6731/1 "2023-07-03T01:30:06Z")

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GROMACS version: 2023.1  
GROMACS modification: No  
I just installed a new GPU on the computer, and tried running the following code to run simulation on GPU:  
gmx mdrun -v -deffnm md\_0\_1 -nb gpu

However, that yields the following error:

 ![Screenshot from 2023-07-03 09-27-58](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/2X/d/df27e7e20f83f1fe0e2b1bc850b467032fc168f9.png)  
I noticed how the CUDA driver and runtime are mismatched. Could this have caused the 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:** [July 3, 2023, 1:41am UTC](https://gromacs.bioexcel.eu/t/error-when-running-gmx-2023-1-mdrun-with-gpu/6731/2 "2023-07-03T01:41:45Z")

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Yes, the mismatch is the source of the problem.

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<div class="post-metadata">

**Author:** ![joshemuel](https://avatars.discourse-cdn.com/v4/letter/j/fbc32d/32.png) [@joshemuel](https://gromacs.bioexcel.eu/u/joshemuel)\
**Post date:** [July 3, 2023, 5:58am UTC](https://gromacs.bioexcel.eu/t/error-when-running-gmx-2023-1-mdrun-with-gpu/6731/3 "2023-07-03T05:58:54Z")

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Any ideas on how to resolve it?

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<div class="post-metadata">

**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:** [July 3, 2023, 2:06pm UTC](https://gromacs.bioexcel.eu/t/error-when-running-gmx-2023-1-mdrun-with-gpu/6731/4 "2023-07-03T14:06:46Z")

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You need to have matching versions of the CUDA library, runtime, and supported driver.