You should compare
- the same QE version on different machines
- different QE versions on the same machine
Paolo
On 07/04/2025 17:05, Nurit Manukovsky wrote:
Non ricevi spesso messaggi di posta elettronica da
[email protected]. Scopri perché è importante <https://aka.ms/
LearnAboutSenderIdentification>
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 <[email protected]> on behalf of
Pietro Davide Delugas <[email protected]>
*Sent:* Friday, April 4, 2025 20:21
*To:* Quantum ESPRESSO users Forum <[email protected]>
*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
------------------------------------------------------------------------
*From:* users <[email protected]> on behalf of
Nurit Manukovsky <[email protected]>
*Sent:* Thursday, April 3, 2025 14:28
*To:* Husak Michal via users <[email protected]>
*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
[email protected]
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
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Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
_______________________________________________________________________________
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
