potential_extrapolate.sh --avg-points or --avg-point ?

[Yihan Nie]

Hi there,

I came across an error when trying to set the average point number for extrapolation, using post_update_options.extrapolate.points in settings.xml. The error says: Unknown option '--avg-points'. 

The error occurs while running potential_extrapolate.sh. I go through the script, and it seems that the option is avg-point. However, the false command is automatically generated by postupd_extrapolate.sh (--avg-points).

Is there a mismatch between these two scripts? I tried to change one of them, but same error occurs. Should I re-install votca to make the change happen?

I have attached parts of the logfile and setting.xml, in case it is not like what I thought. 

Thanks

Yihan

[Christoph Junghans]

On Fri, Feb 21, 2020 at 5:17 AM Yihan Nie <yih...@gmail.com> wrote:
>
> Hi there,
>
> I came across an error when trying to set the average point number for extrapolation, using post_update_options.extrapolate.points in settings.xml. The error says: Unknown option '--avg-points'.
> The error occurs while running potential_extrapolate.sh. I go through the script, and it seems that the option is avg-point. However, the false command is automatically generated by postupd_extrapolate.sh (--avg-points).
> Is there a mismatch between these two scripts? I tried to change one of them, but same error occurs. Should I re-install votca to make the change happen?

Thanks for reporting this issue, try this fix:
https://github.com/votca/csg/pull/502

Christoph

>
> I have attached parts of the logfile and setting.xml, in case it is not like what I thought.
>
> Thanks
> Yihan
>

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--
Christoph Junghans
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