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 <[email protected]> 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 <[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 > > -- 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
