[QE-developers] Density of states Calculation issue

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu Nov 10 11:11:18 CET 2022


I cannot reproduce you problem. In any case: you should perform DOS 
calculations on a single CPU. A DOS calculation is fast and is not 
parallelized.

Paolo

On 10/11/2022 06:25, ameet kumar wrote:
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> 
> Hello,
> This is Ameet Kumar, from Kyungpook National University, South Korea. I 
> am performing a density of states (dos) calculation on quantum espresso 
> version 7.1. I am facing an issue that the *job done tag is printing at 
> the centre of the output file*. Due to that some of the results are 
> misprinted. Here, I am attaching the submission script, input and output 
> files of dos calculation. If you look carefully, the results from E 
> (-18.46eV to -17.46eV) are not printed due to *JOB DONE tag. *This error 
> is only appearing in dos calculation.**
> So, I would like to know about the issue and will be very grateful if 
> you help me to resolve that issue.
> Thanks
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216


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