[QE-users] Error -Intel Compiler- ubuntu 22.04

Hello I was compiling QE .7.0 with Intel Compiler( Intel Parallel Studio XE 2019 Update 5 Cluster Edition ) on Ubuntu version 22.04 but unfortunately I encountered the following error. Can anyone suggest a solution without downgrading the Ubuntu version to 20.04. Thanks for any reply I used

Re: [QE-users] Hubbard_occ()

Dear Iurii, You are right. I have to be certain about the correct use of features in the code. Maybe I am not doing so for Hubbard_occ?! It seems generating pseudopotentials with different occupations for Hubbard orbitals is a straightforward task for me, and then, by default the code reads

Re: [QE-users] Hubbard_occ()

I would try to download the latest QE version from Gitlab and try again. How do you benchmark whether the code behaves as expected or not? Do you have a reference with the older version of QE? Iurii -- Dr. Iurii TIMROV Senior Research Scientist Theory and Simulation of Materials (THEOS) Swiss

Re: [QE-users] Hubbard_occ()

Dear Iurii, The errors mentioned in previous post was a "gcc" problem and solved; please ignore it. I applied the bugfixes in the mentioned links, but nothing new results happened! The fixes was all about the "-ve" and "+ve" values for Hubbard_occ. One other question: I am not a professional

[QE-users] [QE-GPU] GTX 1650

Dear all, Is it possible to run QE-GPU on Nvidia GTX 1650? Best regards, Marko Boskovic University of Belgrade ___ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian

Re: [QE-users] Hubbard_occ()

> Could you please mention which files of 7.1 should be replaced from gitlab to > fix the problem? https://gitlab.com/QEF/q-e/-/merge_requests/1976/diffs https://gitlab.com/QEF/q-e/-/merge_requests/1973/diffs Iurii -- Dr. Iurii TIMROV Senior Research Scientist Theory and Simulation of

Re: [QE-users] Hubbard_occ()

> I am testing the "Hubbard_occ(ityp,i)" variable in QE-7.1 to override reading > the occupation from pseudopotential. It seems that it is not functioning > yet?! I get the same results for different values of Hubbard_occ. There is a bug in QE-7.1. It has been fixed in the development version

[QE-users] Hubbard_occ()

Dear All, I am testing the "Hubbard_occ(ityp,i)" variable in QE-7.1 to override reading the occupation from pseudopotential. It seems that it is not functioning yet?! I get the same results for different values of Hubbard_occ. Any comment is highly appreciated. Bests, Mahmoud Payami