[QE-users] QE crashes with non-local functionals

Nurit Manukovsky nuritman at tauex.tau.ac.il
Thu Apr 3 14:28:50 CEST 2025


Hello,

I am running a simple calculation on two different computer clusters.
On one cluster, the calculation is completed successfully.
On the other, the calculation is successful when using semi-local functionals, but crashes when using non-local ones.
Attached are the output files.
I emphasize the input is identical between the two clusters.
I am guessing this indicates a difference in the environment QE is run at, but I don't know where to start checking this. I'll appreciate your help.

Nurit Manukovsky
School of Chemistry, Tel-Aviv University
nuritman at tauex.tau.ac.il


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