[QE-users] Error with QE-7.3

[H. BOUAFIA]

Dear Daniel Rothchild
Thank you very much, with your help the error was fixed.


sincerely

________________________________
De : Daniel Rothchild <drothchild at berkeley.edu>
Envoyé : lundi 27 mai 2024 12:04
À : Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>; hamza_bouafia at hotmail.com <hamza_bouafia at hotmail.com>
Objet : Re: [QE-users] Error with QE-7.3

I've also run into this issue, and for me the problem is described and fixed in this commit: https://gitlab.com/QEF/q-e/-/commit/c5cfcd9f9cc82e6d7da3329311eeecbc89504415. I was able to fix the error in 7.3 by simply changing maxl in the two files modified by that commit.

Daniel Rothchild

On Mon, May 27, 2024 at 3:39 AM H. BOUAFIA <hamza_bouafia at hotmail.com<mailto:hamza_bouafia at hotmail.com>> wrote:
hi,
for a spin polarized calculation, the same calculation was started with two versions of QE which were compiled with the same options on the same PC, with qe-7.2 the calculation works without problem but with version 7.3 it gives this error message:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine  ylmr2 (15):
     l too large, or wrong number of Ylm required
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Sincerely
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