[Pw_forum] How to know from the output file that the GPU part is really running in QE-GPU

[Karim Elgammal]

Thank you so much! and happy vacation!

On Fri, Sep 19, 2014 at 3:14 PM, Filippo Spiga <spiga.filippo at gmail.com>
wrote:

> Dear Karim,
>
> I saw your emails, take it easy. Well... I am on holidays (almost) on the
> opposite side of the world. So I reply when I want and when I have time
> (because I am not paid to so).
>
> Assuming you compiled QE-GPU correctly (with the configure placed inside
> GPU/), once you run a short header should appear at the very beginning.
> Something like this:
>
>
>      *******************************************************************
>
>        GPU-accelerated Quantum ESPRESSO (svn rev. unknown)
>        (parallel: Y )
>
>      *******************************************************************
>
>
>      Program PWSCF v.5.1 (svn rev. 11174M) starts on 19Sep2014 at  2:32: 8
>
>      This program is part of the open-source Quantum ESPRESSO suite
>      for quantum simulation of materials; please cite
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
>           URL http://www.quantum-espresso.org",
>      in publications or presentations arising from this work. More details
> at
>      http://www.quantum-espresso.org/quote
>
>      Parallel version (MPI & OpenMP), running on      16 processor cores
>      Number of MPI processes:                16
>      Threads/MPI process:                     1
>      R & G space division:  proc/nbgrp/npool/nimage =      16
>      Reading input from ./pw-ausurf112_k-SCF_3.in
>
>
> (this is done using checkout copy of QE from the SVN, the same should
> happen using QE v5.1). There are no other differences in the structure of
> the textual output. This has been done on purpose to let people continue to
> apply their own script to parse the output of PWscf. If you do not have
> those lines indicating that you are running GPU-accelerated Quantum
> ESPRESSO then send over the steps you followed to compile QE + QE-GPU, your
> environment and the config.log generated by the configure (located under
> "GPU/install/")
>
> Remember you can always check if the GPU are used by log in to any of the
> compute nodes allocated to your job and run "nvidia-smi" (the only case you
> cannot do this is if you are using a CRAY XK* system). You will see your
> process/processes attached to the GPUs available on that node and a chunk
> of the memory of the GPUs allocated to one or more instances of pw-gpu.x
>
> HTH
> F
>
>
> On Sep 18, 2014, at 11:13 PM, Karim Elgammal <egkarim at gmail.com> wrote
>
> Dears;
> I have now the latest QE-GPU version 14.06 installed with QE5.1
> I run a simple scf calculation as a test by the following:
>
> export PHI_DGEMM_SPLIT=0.975
> export PHI_ZGEMM_SPLIT=0.975
> pw-gpu.x < G.scf.in > G.scf.out
>
> Is there any special variable to declare to be able to run on the GPU? as
> in the output it specifies that "Program PWSCF v.5.1 starts........." with
> nothing specified about "GPU".
>
> Can you kindly send me example output file from the GPU enabled code as
> well as example shell script for running the pw-gpu?
>
> --
> Thank you and Best Regards;
> Karim Elgammal
> KTH
> Sweden
>
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>
> --
> Mr. Filippo SPIGA, M.Sc.
> http://filippospiga.info ~ skype: filippo.spiga
>
> «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
>
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-- 
Thank you and Best Regards;
*Karim Elgammal*
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