[QE-users] LDA-1/2 method - issues

[Paolo Giannozzi]

On 2/13/23 16:50, Luis Ara wrote:

> However, when running the program with the command 
> mpirun -n 64 ~/qe-7.1/bin/ld1.x < input.in > output.out

I don't think it is relevant for your problem but ld1.x is a serial 
code: running it on 64 processors is in the best case a waste of 
resources (in the worst, a source of trouble)

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