[Pw_forum] Serial vs. parallel runs of berry.in test case

Paolo Giannozzi p.giannozzi at gmail.com
Thu Aug 20 19:36:48 CEST 2015


It should be fixed now in the svn version. It was an interesting bug,
(marginally) affecting also XDM in the same case (nonuniform distribution
of real-space FFT grids). Thank you for reporting it

Paolo

On Tue, Aug 18, 2015 at 9:10 PM, Mostafa Youssef <myoussef at mit.edu> wrote:

> Thank you, Prof. Giannozzi.  I tested one more time and found out that by
> removing tqr=.true. it works on 8 processors even with an FFT grid of
> 36x36x36.  With tqr=.true. , the FFT grid has to be multiples of 8.
>
>
>
> Best Regards,
> Mostafa Youssef
> MIT
>
>
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-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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