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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > > -- > Mr. Filippo SPIGA, M.Sc. > http://filippospiga.info ~ 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 > -- Thank you and Best Regards; *Karim Elgammal* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140919/5a8b25e6/attachment.html
