[CP2K-user] [CP2K:13794] Re: Regarding GPU version

Jörg Saßmannshausen sassy... at sassy.formativ.net
Wed Oct 28 22:26:13 UTC 2020

Hi Fabian, hi all.

I am hijacking a bit this thread as I think it is relevant. 
I will have access to a GPU test machine which got the new Ampere GPU cards 
installed. If I get the Wiki page correctly, I would need to set the GPU 
version to A100, i.e.

Are the Ampere cards already supported in CP2K? Given that the latest version 
was released *before* the Ampere cards were around, I got the feeling that 
might not be the case. 

Thanks for your help.

All the best from a dark and cold London


Am Dienstag, 18. August 2020, 08:41:34 GMT schrieb fa... at gmail.com:
> Hi Bidesh,
> this option will select the which architecture to optimize for. You can
> simply choose the one which is closest to you card. According to
> https://en.wikipedia.org/wiki/CUDA the GTX 1660 Ti has compute capability
> 7.5, so you should use --gpu-ver=V100
> Best,
> Fabian
> On Tuesday, 18 August 2020 at 09:23:08 UTC+2 bide... at gmail.com wrote:
> > Hi all,
> > 
> > I don't know if this topic is relevant or not but I am facing a problem
> > while compiling cp2k with cuda.
> > I have a GPU nVIDIA GTX1660ti. I have installed CUDA. Now while compiling
> > what should I put in --gpu-ver=. As its showing only K20X, K40, K80, P100,
> > V100 are allowed.
> > Thanks in advance.
> > 
> > Bidesh Kirtania
> > Research Scholar

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