Test-suites Failed

[doronwu]

Hi all,

I tried to install west-code on a cluster. There's no error messeage while I was running tests, however, I didn't pass most of the tests except the QE part.

Does anyone know how to solve this issue?

Test_output.txt

[vyu16]

Hi @doronwu, thanks for reporting this issue.

Starting with QE 7.4, the CPU and GPU code paths of pwscf utilize different random number generators, resulting in slight differences in the wave functions at SCF convergence. These differences can lead to minor deviations (typically a few meV or less) in WEST calculations.

While these discrepancies are negligible in most cases, if you want GPU and CPU results to match within a precision of 10^-10 or so, you can do one of the following:

• Manually revert this change in QE
• Tighten the SCF convergence threshold in the pwscf calculations

In the next release of WEST, we will think of a way to ensure the tests don't fail due to different random initializations.

[doronwu]

Thank you! I decided to use West6.0 and it passed the test.