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

[Nurit Manukovsky]

Indeed so; but is it certain that the problem is in the code itself, and not in the compilation/environment QE is run at?
Is the installation of the previous QE version in the same environment expected to solve this?
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Pietro Davide Delugas <pdelugas at sissa.it>
Sent: Friday, April 4, 2025 20:21
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] QE crashes with non-local functionals

Hello
 The version of PW is different, and the one failing is the newest 🙁
Pietro

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From: users <users-bounces at lists.quantum-espresso.org> on behalf of Nurit Manukovsky <nuritman at tauex.tau.ac.il>
Sent: Thursday, April 3, 2025 14:28
To: Husak Michal via users <users at lists.quantum-espresso.org>
Subject: [QE-users] QE crashes with non-local functionals

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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