Okay thank you for the insight. I figured it was not a show stopper. Good to have the additional context regarding it being a change from the historical norm, and that it is associated with libxc which wasn't clear to me.
On Sun, Nov 9, 2025 at 2:36 AM Pietro Davide Delugas <[email protected]> wrote: > No, at least not for what concerns correctness of the results. > With the new versions of libxc that test is regularly taking 35 > iterations to converge instead of the 25 in the benchmark, but converges to > the same ground state as in the benchmark. > Pietro > > Il 9 nov 2025 1:22 AM, Michael Dayan via users < > [email protected]> ha scritto: > Hello, > > I am new to QE and I finally got v7.5 installed w/flags for libxc v7.0.0 > This is in a virtual machine Ubuntu 24.04.3 LTS > When I ran the QE self test it passed 251 out of 252 tests. > > The only one that failed had the following console output. > > pw_metaGGA - metaGGA-spin.in: **FAILED**. > n1 > ERROR: absolute error 1.00e+01 greater than 8.00e+00. (Test: 25.0. > Benchmark: 35.0.) > > Is this cause for any concern? and if so is there any further diagnostics > to pinpoint the root cause? > Sincerely, > Michael Dayan > -- > Master of Nanoengineering 2024 - Present > Bachelor of Science in Electrical Engineering 2021 > > *Michael Dayan* > > Pack Motorsports FSAE - Mentor Hardware Engineering > > College of Engineering - Materials Science and Engineering Dept. > >
_______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
