[QE-users] 答复: Error in Average.x

[Paolo Giannozzi]

On Mon, Feb 11, 2019 at 4:02 PM GAO Yuxiang <yxgao6-c at my.cityu.edu.hk>
wrote:

> I don't know how to get the modified "run_example" script.
>

Your original message seemed to imply that  you just modified the example
by just changing two variables.

> The input file of average.x is as follows:
>
>
> 1
> Al100.pot
> 1.D0
> 1440
> 3
> 3.835000000
>

it works (if you run average.x correctly: it reads data from terminal)

Paolo


> 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>
> 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
> Phone +39-0432-558216, fax +39-0432-558222
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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