[gmx-developers] gpu compatibility with GROMACS

[Erik Lindahl]

Hi Gil,

This is a list for development/code questions, so please ask on the Gromacs user forums instead. All recent NVIDIA GPUs will work.

Cheers,

Erik

Erik Lindahl <erik.lindahl at scilifelab.se>
Professor of Biophysics
Science for Life Laboratory
Stockholm University & KTH
Office (SciLifeLab): +46 8 524 81567
Cell (Sweden): +46 73 4618050
Cell (US): +1 (650) 924 7674 



> On 6 Mar 2022, at 09:08, Gil Olgenblum <gil.olgenblum at mail.huji.ac.il> wrote:
> 
> 
> Dear GROMACS developers,
> My group is planning to buy a new gpu server and we are not sure about its compatibility with GROMACS. We would greatly appreciate your advice on the matter. Currently we have two options for the gpus, either a NVIDIA RTX A4000 or a ASUS RTX3060.
> Do you know of any issues regarding these gpus? or have any recommendations?
> 
> Best regards,
> Gil
> 
> -- 
> ___________________________________________________
> Gil I. Olgenblum
> PhD. Student at Prof. Harries group
> Institute of  Chemistry and the Fritz Haber Research Center
> The Hebrew University of Jerusalem, Jerusalem 9190401, Israel
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