[QE-users] Can not perform multiple optimization calculations

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Mar 22 17:40:15 CET 2023


On 22/03/2023 14:50, Chirantan Pramanik wrote:

> The problem is when I run multiple optimization jobs for pw.x only one 
> of them completes and others stop in between at random places without 
> finishing.

you can run as many pw.x jobs as you want, but you need to set a 
different "outdir" for each, or at least a different "prefix"

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216


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