[Pw_forum] Tutorial: Install QE-GPU binaries in latest ubuntu systems (v. 16.04), Nvidia Cuda 7.5 , Intel MKL and Intel MPI software with NVIDIA cards hardware

Rolly Ng rollyng at gmail.com
Thu Aug 25 02:07:45 CEST 2016

Dear Josué,

Very nice and detail steps. Thank you!

I would like to add that it also works for QE ver 5.3.0 on OpenSUSE 13.2.

Supported GPU including:

1) Tesla C2050

2) Tesla C2070/75

3) Titan Z/Black/Original



On 08/25/2016 04:21 AM, Josue Itsman Clavijo Penagos wrote:
> Dear all,
> I’m posting the following rather introductory, not professional-level 
> tutorial for Installing QE-GPU binaries In recent ubuntu systems using 
> Nvidia Cuda, Intel MKL, Intel MPI software and NVIDIA GPU kepler-model 
> cards hardware, since i think this might be useful for any of you 
> fellow scientists struggling to get working their quantum espresso 
> GPU-enabled installations.
> I, by no means, do pretend to offer an in-depth description of every 
> and all given steps, since i’m no a technology expert; in fact, much 
> of this are referred to mail discussions, Urls and documentation 
> readings found out inside the same used installation packages.
> *The only purpose of this post* is to give some useful advice and, 
> mainly, to unify and share to whom may be interested all the available 
> information I’ve found in order to get, to the present extent of my 
> technology skills, a more-or-less complete and comprehensive tutorial 
> containing all what it’s needed to get success about QE-GPU 
> installation and usage.
> A big *thank you* to the following scholars for all of your highly 
> valuable advice and key assistance to get this done:
> *Ari Paavo Seitsonen*
> *Claudio Quarti*
> and all of you
> *
> *
> *
> *
> All trademarks, copyrights and author ownerships over texts, codes and 
> original information links *are respected and are the exclusive 
> property of their rightfully legitimate owners*.
> I apologize for any typos or vocabulary/redaction errors; I’m not a 
> native english speaker.
> All said above, in the attached file I share what I did to get a 
> flawless compilation.
> *Best regards, *
> Josué Clavijo, Dr. Sc. in Chemistry
> Assistant Professor
> Universidad Nacional de Colombia
> Science College
> Chemistry Department
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0538

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