# \[SOLVED\] Which version of CUDA should I install for Gromacs?

**URL:** <https://gromacs.bioexcel.eu/t/solved-which-version-of-cuda-should-i-install-for-gromacs/2616>\
**Category:** User discussions\
**Created:** [July 30, 2021, 3:41am UTC](https://gromacs.bioexcel.eu/t/solved-which-version-of-cuda-should-i-install-for-gromacs/2616 "2021-07-30T03:41:26Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![VIP](https://avatars.discourse-cdn.com/v4/letter/v/49beb7/32.png) [@VIP](https://gromacs.bioexcel.eu/u/VIP)\
**Post date:** [July 30, 2021, 3:41am UTC](https://gromacs.bioexcel.eu/t/solved-which-version-of-cuda-should-i-install-for-gromacs/2616/1 "2021-07-30T03:41:26Z")

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GROMACS version: 2021.2  
GROMACS modification: Yes  
Here post your question

I want to build gromacs natively on Visual studio 2019 on Windows PC with NVIDIA P4000 following this instruction.

> **[How to install GROMACS in Windows in "Native" Environment - GROMACS - Center...](http://cdlc.cau.ac.kr/gromacs)**
>
> Updated: 2021/06/20 This document briefly introduces how to intsall the GROMACS in Windows without Cygwin or Window subsystem for Linux (WSL), by using Visual Studio: "Native" environment, which is enable to use GPU (CUDA) computation. (I am not sure...

[https://manual.gromacs.org/documentation/current/user-guide/known-issues.html#unable-to-compile-with-cuda-11-3](https://manual.gromacs.org/documentation/current/user-guide/known-issues.html#unable-to-compile-with-cuda-11-3)

I edited gmxManageNvccConfig.cmake as the instruction because the last compilation failed.

Currently, my PC has CUDA version 11.4 but I found the closed issue on Gitlab that says Gromacs no longer supports CUDA 11.3.

> **[Gromacs-2021.1 Installation Error with Cuda11.3 (#4037) · Issues · GROMACS /...](https://gitlab.com/gromacs/gromacs/-/issues/4037)**
>
> Hi, I have update Cuda to 11.3, and I have now issue with installation on Ubuntu 20.04:

Now I’m building Gromacs with edited gmxManageNvccConfig.cmake but it takes 30 minutes and the build hasn’t finished yet. (The instruction says it takes around 10 minutes)

Has anyone tried CUDA 11.4 ? Should I downgrade the version of CUDA?

Update:  
Compilation with 11.4 failed as all the tests failed, which I don’t think the same error as the reported issue. But now I’m trying to install with CUDA 11.2.

Update:  
Suceeded in compilation with CUDA 11.2.

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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:** [August 2, 2021, 9:50am UTC](https://gromacs.bioexcel.eu/t/solved-which-version-of-cuda-should-i-install-for-gromacs/2616/2 "2021-08-02T09:50:52Z")

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> [@VIP](#):
>
> Currently, my PC has CUDA version 11.4 but I found the closed issue on Gitlab that says Gromacs no longer supports CUDA 11.3.

Due to an issue in the nvcc compiler in the 11.3, this is not supported.

> [@VIP](#):
>
> Update:  
> Compilation with 11.4 failed as all the tests failed, which I don’t think the same error as the reported issue.

Can you please file an issue on [https://gitlab.com/gromacs/gromacs/-/issues](https://gitlab.com/gromacs/gromacs/-/issues) with the details of the CUDA 11.4 build and test outputs.

> [@VIP](#):
>
> Update:  
> Suceeded in compilation with CUDA 11.2.

That should work, thanks for the update.