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 > > ***** > Disclaimer: "Please note this message and any attachments are CONFIDENTIAL > and may be privileged or otherwise protected from disclosure. The contents > are not to be disclosed to anyone other than the addressee. Unauthorized > recipients are requested to preserve this confidentiality and to advise the > sender immediately of any error in transmission." > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140622/609d7ac7/attachment.html
