[QE-users] [SUSPECT ATTACHMENT REMOVED] unefficient parallelization of scf calculation

[Paolo Giannozzi]

On Wed, Apr 10, 2019 at 9:08 AM JULIEN, CLAUDE, PIERRE BARBAUD <
julien_barbaud at sjtu.edu.cn> wrote:

I attached the input file and output file of test #2
>

you did, but many mailers don't like that kind of attachments and don't let
them go through

(this output only ran 1 iteration because I interrupted it).
>

it is useful to stop the code  by setting the maximum number of scf
iterations to 1. In this way one can see the final time report.

Paolo
-- 
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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