[Pw_forum] On the run of GPU version of QE

Alexander G. Kvashnin agkvashnin at gmail.com
Fri Mar 28 08:57:53 CET 2014

Dear Filippo,

I ran test job for vc-relax of NaCl crystal both on CPU only and GPU. I
found that wall time of the CPU job is (29 minutes) which less than time
given me by GPU job (49 minutes). I used the same command line for start as
I wrote in previous email. Could you please explain for what size of the
system or for what kind of jobs should I get an advantage with GPU rather
than CPU?

Thank you!


*Sincerely yours,*
*Alexander G. Kvashnin *

*=====================================================PhD Student Moscow
Institute of Physics and Technology          http://mipt.ru/
*141700, Institutsky lane 9, Dolgoprudny, Moscow Region, Russia*

*Junior research scientistTechnological Institute for Superhard and Novel
Carbon Materials                                http://www.tisnum.ru/
Central'naya St. 7a, Troitsk, Moscow Region,

On 26 March 2014 19:13, Filippo Spiga <spiga.filippo at gmail.com> wrote:

> On Mar 26, 2014, at 12:33 AM, Alexander G. Kvashnin <agkvashnin at gmail.com>
> wrote:
> > mpirun -np 2 /qe-dir/bin/pw-gpu.x -in input > output
> >
> > And it will start with 2 MPI process and get 2 GPUs on my host. Is it
> correct?
> Yes. But if 2 MPI processes are enough to run the calculation I suggest to
> run the code in serial. The GPU acceleration will be probably faster.
> F
> --
> Mr. Filippo SPIGA, M.Sc.
> http://www.linkedin.com/in/filippospiga ~ skype: filippo.spiga
> «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
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