# Using biobb\_gromacs image on runpod

**URL:** <https://ask.bioexcel.eu/t/using-biobb-gromacs-image-on-runpod/5541>\
**Category:** BioBB\
**Tags:** gromacs\
**Created:** [March 26, 2025, 2:13pm UTC](https://ask.bioexcel.eu/t/using-biobb-gromacs-image-on-runpod/5541 "2025-03-26T14:13:47Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![pducrot](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/pducrot/32/1144_2.png) [@pducrot](https://ask.bioexcel.eu/u/pducrot)\
**Post date:** [March 26, 2025, 2:13pm UTC](https://ask.bioexcel.eu/t/using-biobb-gromacs-image-on-runpod/5541/1 "2025-03-26T14:13:48Z")

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Hi, I’m trying to run a Gromacs simulation using the biobb\_gromacs docker image running on runpod. It doesn’t seem to be using the GPU regardless the gmx mdrun options I set. In runpod I selected a RTX A4000 GPU pod.  
Does the image support GPU? Which ones?  
Thanks

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**Author:** ![adam.hospital](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/adam.hospital/32/151_2.png) [@adam.hospital](https://ask.bioexcel.eu/u/adam.hospital)\
**Post date:** [March 26, 2025, 4:40pm UTC](https://ask.bioexcel.eu/t/using-biobb-gromacs-image-on-runpod/5541/2 "2025-03-26T16:40:15Z")

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Hi Pierre,

the GROMACS installed inside the docker image does not support GPU, as it is using the default [GROMACS Conda package](https://anaconda.org/conda-forge/gromacs), which is not compatible with GPU. We are using this package as a dependency for the [biobb\_gromacs](https://github.com/bioexcel/biobb_gromacs) [Conda](https://anaconda.org/bioconda/biobb_gromacs) one, and it is then inherited in the docker image in the automatic pipeline that generates the Docker and Singularity containers.

Exploring the possibility to use different [GROMACS Conda packages](https://anaconda.org/conda-forge/gromacs/files), including compatibility with GPU, is something we would like to check in a near future.

Thanks for your interest in our tools and sorry for the inconveniences.

Regards,

-Adam-

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<div class="post-metadata">

**Author:** ![pducrot](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/pducrot/32/1144_2.png) [@pducrot](https://ask.bioexcel.eu/u/pducrot)\
**Post date:** [March 26, 2025, 4:48pm UTC](https://ask.bioexcel.eu/t/using-biobb-gromacs-image-on-runpod/5541/3 "2025-03-26T16:48:43Z")

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Hi Adam, thank for your quick answer.