# Optimizing GROMACS for md simulation

**URL:** <https://gromacs.bioexcel.eu/t/optimizing-gromacs-for-md-simulation/9828>\
**Category:** User discussions\
**Tags:** mdp-parameters, mdrun\
**Created:** [August 6, 2024, 8:12am UTC](https://gromacs.bioexcel.eu/t/optimizing-gromacs-for-md-simulation/9828 "2024-08-06T08:12:19Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![UserMIR1](https://avatars.discourse-cdn.com/v4/letter/u/35a633/32.png) [@UserMIR1](https://gromacs.bioexcel.eu/u/UserMIR1)\
**Post date:** [August 6, 2024, 8:12am UTC](https://gromacs.bioexcel.eu/t/optimizing-gromacs-for-md-simulation/9828/1 "2024-08-06T08:12:19Z")

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GROMACS version: 2024.2  
GROMACS modification: Yes (CUDA Support)  
I am running GROMACS with NVIDIA gpu support compiled using CUDA. Is there a way of distributing tasks between the gpu and cpu for best performance?

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**Author:** ![obZehn](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/obzehn/32/2629_2.png) [@obZehn](https://gromacs.bioexcel.eu/u/obZehn)\
**Post date:** [August 6, 2024, 1:59pm UTC](https://gromacs.bioexcel.eu/t/optimizing-gromacs-for-md-simulation/9828/2 "2024-08-06T13:59:05Z")

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Yes! Take a look at all the [`mdrun`](https://manual.gromacs.org/current/onlinehelp/gmx-mdrun.html) flags.

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**Author:** ![scinikhil](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/scinikhil/32/3483_2.png) [@scinikhil](https://gromacs.bioexcel.eu/u/scinikhil)\
**Post date:** [August 6, 2024, 3:28pm UTC](https://gromacs.bioexcel.eu/t/optimizing-gromacs-for-md-simulation/9828/3 "2024-08-06T15:28:17Z")

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please have a look [here](https://manual.gromacs.org/current/user-guide/mdrun-performance.html) too