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 <[email protected]> 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 [email protected] > 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
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
