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

[Paolo Giannozzi]

You are right, what is written in the release notes (ACE as default)
should have happened before the release but didn't (my fault).

Paolo

On Fri, Mar 17, 2017 at 7:45 PM, Mohammed Khalafalla <mahk74 at gmail.com> wrote:
> Dear Paolo,
> Thank you. Compiling with option -D__EXX_ACE ruled out the problem. I
> suggest to append this info to the release note for v.6.1 as currently it
> indicates that ACE is activated by default.
> Regards
>
>
> On 17 March 2017 at 20:29, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
>>
>> You need to activate ACE by compiling with option -D__EXX_ACE.
>>
>> I also noticed some slowdown after some recent major changes, but
>> didn't take it seriously, since execution times on the HPC machine I
>> used for testing tend to be quite stochastic
>>
>> Paolo
>>
>> On Fri, Mar 17, 2017 at 5:49 PM, 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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>>
>>
>>
>> --
>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
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>
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222