[QE-users] 答复: Error in Average.x

[GAO Yuxiang]

Dear Lorenzo and Paolo,


Thanks for your quick reply, but I don't know how to get the modified "run_example" script. The input file of average.x is as follows:


1
Al100.pot
1.D0
1440
3
3.835000000


I just copy it from the WorkFct-examples.


Thanks in advance.



Best regards,
Gao Yuxiang

________________________________
发件人: users <users-bounces at lists.quantum-espresso.org> 代表 Paolo Giannozzi <p.giannozzi at gmail.com>
发送时间: 2019年2月11日 18:04:25
收件人: Quantum Espresso users Forum
主题: Re: [QE-users] Error in Average.x

If you provide the modified "run_example" script, maybe somebody may help you.

Paolo

On Mon, Feb 11, 2019 at 6:28 AM GAO Yuxiang <yxgao6-c at my.cityu.edu.hk<mailto:yxgao6-c at my.cityu.edu.hk>> wrote:

Dear all,


I'm trying to run  the WorkFct-examples by version 6.3, but average.x calculation returned an error


 task #         0
     from average  : error #         1
     nfile is wrong

I only changed pseudo_dir and outdir, pw.x and pp.x calculation were right. I don't know why I got this error, because I used same infile as the example. Could you please help me out?  Thank you very much.


Best regards,

Gao Yuxiang

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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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