[Pw_forum] Cena

[nicola varini]

Che fai pee cena?
On 16/06/2014 1:12 AM, "Filippo Spiga" <spiga.filippo at gmail.com> wrote:

> Dear Reza Behjatmanesh-Ardakani,
>
> On Jun 14, 2014, at 8:38 PM, Reza Behjatmanesh-Ardakani <
> reza_b_m_a at yahoo.com> wrote:
> > I have sent this error to the QE-GPU forum nearly 2 weeks ago; however,
> I didn't receive any reply. Maybe in QE forum one can help, so I repeat
> here:
>
> I haven't noticed the message, it is possible that my email client put it
> into SPAM automatically. Apologize.
>
>
> > I parepared an input for relaxation of carbon nanotube that
> > is in periodic form only in one-dimension with carbon
> > monoxide in it.
> > While it runs with pw.x, it encounter with error by pw-gpu.
> > Both programs are on the same machine, but in different
> > directory ( pw.x is in espresso-5.0.3, pw-gpu is in
> > espresso-503).
> > I installed the patch files on both programs. I used MPICH
> > and ifort (comoserxe 2013 update 2) for both.
> > I compiled pw-gpu.x without magma, as I saw some errors
> > such as cdiaghg error related to it.
> > I used core-i7 and GTX-660Ti, all for test. I used pw-gpu.x
> > on this system to run 1*1*3 supercell of carbon nanotube
> > without any problem.
> > The only difference of this new input with its pure form
> > comes back to the presence of CO inside it and vacuum in x
> > and y direction.
> > My GPU has only 2G and my system has 8G (the system is only
> > for test).
>
> If you run successfully one input case but another test-case does not work
> maybe the new physical system you want to simulate is too big (some data
> structure cannot fit GPU memory) or it has some unsupported features.
>
> Anyway, I do _not_ suggest to use a gaming card for QE-GPU. I understand
> how appealing is to use gaming cards to perform computation but QE-GPU is
> developed, maintained and tested for NVIDIA TESLA cards (Fermi or Kepler
> generation). It works, in principle, using gaming cards (GTX). However I do
> not guarantee performance or results reproducibility. At some point in time
> I will insert a control in the code such has if someone is trying to run
> the code on un-supported GPU, the code will terminate before start any
> calculation.
>
> Regards,
> Filippo
>
> --
> 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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