[Pw_forum] GPU

Filippo Spiga spiga.filippo at gmail.com
Tue Sep 11 13:31:43 CEST 2012

Dear Amir,

I am afraid most of the examples provided with the suite are excellent examples to understand how to create an input files and deal with multiple parameters of PWscf. But those examples are not suitable for a performance-oriented benchmarking activity. If you want to assess the performance of your CPU+GPU workstation (or cluster) you might need to try some input cases a bit more computational intensive. GPU support has been introduced to tackle heavy computational calculations, by taking advantage by the acceleration provided by the graphic cards. If the test takes one minutes or less using only the GPU, there is no point to look for any additional acceleration with a GPU.

I suggest AUSURF112, you can find it here: http://qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseBrowse&frs_package_id=36
( or the archive "pwscf-small-benchmark.tar.gz")

I'll take as personal stuff to provide a small set of new benchmarks (with reference outputs) only for the GPU package.

Please, subscribe the mailing-list dedicated to the GPU version of the code here http://qe-forge.org/mailman/listinfo/q-e-gpgpu
I will be glad to help you go through any issue you might encounter.


On Sep 11, 2012, at 11:50 AM, Amir hosseini <amirhosseinba67 at gmail.com> wrote:
> Dear all
> I was run a same example on Quantum espresso 5.0 with and without GPU
> compalibity but my result very amazing.
> Without GPU, time spending 806s but with GPU, time spending 1600s!!!!

Mr. Filippo SPIGA, M.Sc., Ph.D. Candidate 
CADMOS - Chair of Numerical Algorithms and HPC (ANCHP)
École Polytechnique Fédérale de Lausanne (EPFL)
http://anchp.epfl.ch ~ http://filippospiga.me ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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