[Pw_forum] Hybrid calculation with ACE in QE v.6.1

Taylor Barnes tbarnes at lbl.gov
Fri Mar 17 18:21:34 CET 2017


Hi Mohammed,

   QE version 6.1 contains many changes I made to the EXX implementation in
order to improve the performance of the code when running large
calculations on many nodes.  The calculation you are running is very small
and won't necessarily benefit much from these changes, but it certainly
shouldn't perform worse.  If you send me your input file and pseudos, I'll
see if I can determine what is going on.

Best,
Taylor Barnes

On Fri, Mar 17, 2017 at 11:49 AM, Mohammed Khalafalla <mahk74 at gmail.com>
wrote:

> Dear all,
> I found that the hybrid calculation in QE version 6.1 to be slower than
> that in v. 6. Kindly attached attached herewith the outputs from both
> versions. Would this be due to ACE implementation in v.6.1?
> Regards,
> M. A. H. Khalafalla
> Taibah University
> Dept of Physics
> KSA
>
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