Issue with running CP2K on multi-GPU node

[Vedran Miletić]

Hello Abhishek,

can you try changing line 199 in cp2k/src/start/cp2k_runs.F from:

  CALL acc_set_active_device(MOD(para_env%mepos, acc_get_ndevices()))

to

  CALL acc_set_active_device(1)

and see if this works? You can use 2 or 3 if you prefer.

Regards,
Vedran

Dana utorak, 11. studenoga 2014. 20:06:42 UTC+1, korisnik Abhishek 
Bagusetty napisao je:
>
> Hi Developers,
>
> The cluster we use have a 4 on-node GPUs. It is apparent that the GPU-IDs 
> are tagged as 0,1,2,3 and when GPU_ID 0 is being used by some-other 
> application, CP2K reports in the output that *CUDA Error: all 
> CUDA-capable devices are busy or unavailable*. It looks like the 
> deviceIndex is defaulted to 0 for the CUDA APIs.
>
> Is there a way to specify a specific GPU-ID, so that memory management 
> and/or kernel computations are performed with respect to that particular 
> device ID ?
>
> Thanks,
> Abhishek 
>
>
> -----------------------------------------------------------------------------------------------------------
> Abhishek Bagusetty
> PhD Student, Computational Modeling & Simulation
> Center for Simulation and Modeling
> Department of Chemical & Petroleum Engineering
> University of Pittsburgh
> Pittsburgh, PA - 15261
> Office : 920 Benedum Hall
>
> -----------------------------------------------------------------------------------------------------------
>
>
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