Try to disable parallel diagonalization, by setting "-nd 1" as in this
example
mpirun -np 4 pw.x -nd 1 ....
Paolo
On 6/10/25 11:47, Sayan Mandal via users wrote:
Dear users,
I am using qe-7.2,Ubuntu 20.I am having the issue regarding structure
relaxation and further calculations of CsPbI3 supercell consisting 40
atoms.How to resolve the problem?
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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