[QE-users] Size of the temporary files

[Paolo Giannozzi]

Are you running out of disk space already during the self-consistent step
or after, during the band calculation step? In the latter case, you may
compute one k-point at the time, or use option disk_io='none'.

Paolo

On Tue, Nov 26, 2019 at 9:26 PM Jatin Kashyap <jk435 at njit.edu> wrote:

> Dear Community Members,
>
> I am running a job to calculate the band structure of an amorphous
> material consisting 120 atoms. I am facing storage space issues. My job is
> getting killed in my university cluster. And the highly probable reason of
> that is storage space as told by my admin. During job run, the code is
> generating temporary/permanent files which are in 10s of GBs. So my
> question is, is there anyway I can know how much space I need for a given
> job before it’s completion so that I can make up the space for that job
> accordingly or can adjust it some how.
>
> Thank you very much for your contribution.
>
> ——
> Jatin K
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20191126/14328506/attachment.html>