# Cannot run short-ranged nonbonded interactions on a GPU because no GPU

**URL:** <https://gromacs.bioexcel.eu/t/cannot-run-short-ranged-nonbonded-interactions-on-a-gpu-because-no-gpu/1053>\
**Category:** User discussions\
**Created:** [November 6, 2020, 4:28pm UTC](https://gromacs.bioexcel.eu/t/cannot-run-short-ranged-nonbonded-interactions-on-a-gpu-because-no-gpu/1053 "2020-11-06T16:28:33Z")\
**Posts on this page:** 5\
**Page:** 1

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**Author:** ![sam](https://avatars.discourse-cdn.com/v4/letter/s/5f9b8f/32.png) [@sam](https://gromacs.bioexcel.eu/u/sam)\
**Post date:** [November 6, 2020, 4:28pm UTC](https://gromacs.bioexcel.eu/t/cannot-run-short-ranged-nonbonded-interactions-on-a-gpu-because-no-gpu/1053/1 "2020-11-06T16:28:33Z")

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GROMACS version:2020.4

i was running gromacs with gpu on … but after some times … it stopped working and gave me in log file

> For optimal performance with a GPU nstlist (now 10) should be larger.  
> The optimum depends on your CPU and GPU resources.  
> You might want to try several nstlist values.  
> Can not increase nstlist because an NVE ensemble is used
> 
> * * *
> 
> Program: gmx mdrun, version 2020.4  
> Source file: src/gromacs/taskassignment/findallgputasks.cpp (line 86)
> 
> Fatal error:  
> Cannot run short-ranged nonbonded interactions on a GPU because no GPU is  
> detected.

and when i run nvidia-smi  
i got

> No devices were found

altough i got in log

> MPI library: thread\_mpi  
> OpenMP support: enabled (GMX\_OPENMP\_MAX\_THREADS = 64)  
> GPU support: CUDA  
> SIMD instructions: NONE  
> FFT library: fftw-3.3.8  
> RDTSCP usage: disabled  
> TNG support: enabled  
> Hwloc support: disabled  
> Tracing support: disabled

i’ve nvidia rtx 2060 with cuda 11.1

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**Author:** ![pszilard](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pszilard/32/21_2.png) [@pszilard](https://gromacs.bioexcel.eu/u/pszilard)\
**Post date:** [November 6, 2020, 4:41pm UTC](https://gromacs.bioexcel.eu/t/cannot-run-short-ranged-nonbonded-interactions-on-a-gpu-because-no-gpu/1053/2 "2020-11-06T16:41:27Z")

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If your devices are not found by `nvidia-smi` it means your device driver is broken and you need to address that before you can use the GPU with GROMACS. Consider reinstalling the driver using whichever method you used originally (or uninstall first before installing using a new method, e.g. binary blob from the NVIDIA website or distribution packages).

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**Author:** ![sam](https://avatars.discourse-cdn.com/v4/letter/s/5f9b8f/32.png) [@sam](https://gromacs.bioexcel.eu/u/sam)\
**Post date:** [November 6, 2020, 4:45pm UTC](https://gromacs.bioexcel.eu/t/cannot-run-short-ranged-nonbonded-interactions-on-a-gpu-because-no-gpu/1053/3 "2020-11-06T16:45:13Z")

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thanks for replying … but this command was working well before running the code … So what is the reason for not reading or detecting it ?

really . Appercitaing you help … thanks

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<div class="post-metadata">

**Author:** ![pszilard](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pszilard/32/21_2.png) [@pszilard](https://gromacs.bioexcel.eu/u/pszilard)\
**Post date:** [November 6, 2020, 7:08pm UTC](https://gromacs.bioexcel.eu/t/cannot-run-short-ranged-nonbonded-interactions-on-a-gpu-because-no-gpu/1053/4 "2020-11-06T19:08:12Z")

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I can’t tell you why did your driver installation break, there could be many reasons (e.g. you installed system updates and the kernel DKMS kernel module did not get recompiled).

As I suggested before, try reinstalling the NVIDIA driver.

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<div class="post-metadata">

**Author:** ![sam](https://avatars.discourse-cdn.com/v4/letter/s/5f9b8f/32.png) [@sam](https://gromacs.bioexcel.eu/u/sam)\
**Post date:** [November 15, 2020, 5:52am UTC](https://gromacs.bioexcel.eu/t/cannot-run-short-ranged-nonbonded-interactions-on-a-gpu-because-no-gpu/1053/5 "2020-11-15T05:52:41Z")

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thanks it’s done