[Q-e-developers] Improved Communication in exx.f90

[Carlo Cavazzoni]

Dear Taylor,

thank you very much for the patch,
we will include it in the trunk in one of the next commits,

best,
carlo

Il 01/02/2016 08:01, Taylor Barnes ha scritto:
> Dear All,
>
>    I am a postdoc who is currently working on QE as part of NERSC's 
> NESAP efforts, with particular interest in improving the efficiency of 
> the exact exchange parts of the code.  In the coming months I intend 
> to contribute several changes to the parallelization strategy of 
> exx.f90, but in the meantime I would like to present one small 
> modification to vexx_k.
>    The attached patch reduces the total amount of data communication 
> in subroutine vexx_k.  This is accomplished by moving several "mp_sum" 
> calls to a later point in the code, so that quantities that were 
> communicated in real-space are instead communicated in g-space.  For 
> some calculations, this can result in a non-negligible reduction in 
> walltime.  The patch can be applied by running "patch < exx.patch" 
> within PW/src.
>
> Sincerely,
> Dr. Taylor Barnes
> Postdoctoral Scholar,
> Lawrence Berkeley National Laboratory
>
>
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-- 
Ph.D. Carlo Cavazzoni
SuperComputing Applications and Innovation Department
CINECA - Via Magnanelli 6/3, 40033 Casalecchio di Reno (Bologna)
Tel: +39 051 6171411  Fax: +39 051 6132198
www.cineca.it

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