[QE-users] Fail to run an example given in QE tutorial 2022

[Simon Imanuel Rombauer]

Hello,

you could try to set -pd .true. when executing bands.x, so in your case: srun -n 128 bands.x -pd .true. <bands.in >bands.out
Best,
Simon

Am Freitag, Februar 23, 2024 11:31 CET, schrieb wangzongyi via users <users at lists.quantum-espresso.org>:

> Thank you for your help. However, your suggestion haven't solve the problem, the calculation environment I use is a supercomputing cloud environment. In this environment, the core is default to be 128, if the number is less then 128, system will regard it as 128. So I can't reduce the cores.
> 
> > -----原始邮件-----
> > 发件人: "Kazume NISHIDATE" <nisidate at iwate-u.ac.jp>
> > 发送时间: 2024-02-23 15:59:00 (星期五)
> > 收件人: "Quantum ESPRESSO users Forum" <users at lists.quantum-espresso.org>
> > 抄送: 
> > 主题: Re: [QE-users] Fail to run an example given in QE tutorial 2022
> > 
> > Hi, 
> > 
> > You should reduce the number of cores in the srun.
> > Try the following.
> > 
> > srun -n 2 bands.x <bands.in >bands.out
> > 
> > 
> > > 2024/02/23 16:51、wangzongyi via users <users at lists.quantum-espresso.org>のメール:
> > > 
> > > srun -n 128 bands.x <bands.in >bands.out
> > 
> > 
> > 
> > 
> > 
> > 西館数芽
> > Kazume NISHIDATE Ph.D
> > 
> > Department of Systems Innovation Engineering,
> > Graduate School of Science and Engineering, Iwate University
> > 4-3-5 Ueda, Morioka, Iwate, 020-8551 JAPAN
> > Phone:+81-19-621-6391
> > kazume.nishidate at gmail.com, nisidate at iwate-u.ac.jp
> > https://sites.google.com/site/nisidatelab/
> > 
> > _______________________________________________
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> _______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users