[QE-users] Bands.x calculation in QE-GPU

Paolo Giannozzi p.giannozzi at gmail.com
Fri Jun 29 08:30:51 CEST 2018


On Thu, Jun 28, 2018 at 5:07 PM, DongKyu Lee <risinghermes at gmail.com> wrote:

>
> since the 'xml' format of QE-gpu and regular QE is different
>

There are two formats currently, selected at compile time with preprocessng
options -D__OLDXML. Please verify that the GPU and non-GPU code use the
same format.

Paolo


> Dongkyu
>
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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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