[QE-users] qe v7.5 self test metaGGA-spin.in failed. Cause for concern?

[Pietro Davide Delugas]

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 <users at lists.quantum-espresso.org> 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
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Michael Dayan

Pack Motorsports FSAE - Mentor Hardware Engineering

College of Engineering - Materials Science and Engineering Dept.
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