[QE-users] Size of the temporary files

[Paolo Giannozzi]

About your question: disk space = number of k-points * number of plane
waves * number of states * size of a double complex (16 bytes)

Paolo


On Tue, Nov 26, 2019 at 9:38 PM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> 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
>>
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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
>
>

-- 
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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