[Pw_forum] QE-GPU with Nvidia K80 failed

[Filippo Spiga]

Hello Rolly,

Please try to use "--with-gpu-arch=sm_35", compute capability 3.5 is supported for K80. I do not recall I added explicit support for 3.7 in QE-GPU. From an optimization perspective, I can guarantee there is nothing in the code that leverage K80 better than any other NVIDIA GPU Kepler architecture.

Best suggestion is to move to QE 5.3.0 and get the QE-GPU bundled with it. Updates will arrive with the next release as well since now the two are aligned. tar.gz and announcement will made during the weekend.

Cheers

--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga


> On Jan 9, 2016, at 9:28 AM, Rolly Ng <rollyng at gmail.com> wrote:
> 
> Dear QE-GPU developers,
> 
> I am testing the latest NV K80 for QE-GPU, and the test bed has 4x K80, 
> total of 8 GPU cores.
> 
> I was successful using QE-GPU on C2050 with sm_20, but the K80 comes 
> with sm_37.
> 
> I have cuda-6.5 installed and I am using QEv5.2.0 + QE-GPUv14.10.0 
> complied okay. However, when I run the pw-gpu.x, it failed with
> *** ERROR *** something went wrong inside query_gpu_specs! (rank 0) ... 
> (rank 7)
> 
> Should I upgrade to cuda 7.0 or 7.5 and QEv5.3.0 + QE-GPUv5.3?
> 
> Thank you,
> Rolly
> 
> -- 
> PhD. Research Fellow,
> Dept. of Physics & Materials Science,
> City University of Hong Kong
> Tel: +852 3442 4000
> Fax: +852 3442 0538
> 
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