[CP2K-user] Could I specify how many GPUs I want in CP2K?

[lizzy bai]

Hi Yang

When I specify the number of GPU to paralla run in LAMMPS, I set like this "mpirun  
-np 2 lmp_gpu -sf -pk gpu 2 -in in.ij"
I have not tried in CP2K. May I know how you upload the GPU to perfom the 
calculation?


All the best 

Liyi Bai


在 2019年12月10日星期二 UTC+9下午10:10:48，jt Yang写道：
>
> Hi,everyone
>
> I've compiled newest cp2k(7.0 development) in my serve, unfortunately for 
> some reason, I can't specify the gpu numbers I want with PBS.
>
> Could I specify how many GPUs I want in CP2K? like set "nthreads=2" in 
> config file?
>
> Thanks for any advice.
>
> J.T.Yang
>
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