[gmx-users] Gromacs-GPU help

[Benson Muite]

Hi,

This may also be helpful:

http://www.hecbiosim.ac.uk/jade-benchmarks

https://github.com/hpc-uk/archer-benchmarks/blob/master/reports/single_node/index.md#tab16

Regards,

Benson

On 8/16/19 5:45 AM, Benson Muite wrote:
> Hi,
>
> You may wish to search the list archives as indicated at:
>
> Please search the archive 
> athttp://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before 
> posting!
>
> See also:
>
> https://arxiv.org/abs/1903.05918
>
> Benson
>
> On 8/16/19 5:37 AM, tarzan p wrote:
>> Hi all,I have started using GROMACS recently on my work station (2 X 
>> Intel 6148 (20 cores each) and 2 x tesla v100 .I have compiled it as 
>> per the instructions atRun GROMACS 3X Faster on NVIDIA GPUs
>>
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>> Run GROMACS 3X Faster on NVIDIA GPUs
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>> Complete your molecular dynamics simulations in hours instead of 
>> days. Learn more.
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>> I would like to get request for a proper benchmark for GPU version 
>> and would like to know how to run the GPU version. I mean the command 
>> to use one GPU and 2 GPU(s).
>> With best wishes