[CP2K-user] [CP2K:20019] Output file was overwritten by warnings

ma455...@gmail.com ma455173220 at gmail.com
Tue Mar 12 09:25:38 UTC 2024


Hi Matthias,

I appreciate the information you provided. Could you possibly shed some 
light on what might be causing the file to be overwritten? Could it be 
related to the compilation of ELPA?

Regards,
Hongyang

On Tuesday, March 12, 2024 at 7:21:19 PM UTC+11 Krack Matthias wrote:

> Hi Hongyang
>
>  
>
> In recent CP2K versions, you can control the appearance of such warnings 
> with the keyword EPS_CHECK_DIAG 
> <https://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#CP2K_INPUT.GLOBAL.EPS_CHECK_DIAG> 
> in the &GLOBAL section.
>
> The output is not overwritten by such warnings. These warning are just 
> added to the normal output, but can be overwhelming if there are many.
>
>  
>
> HTH
>
>  
>
> Matthias
>
>  
>
> *From: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
> ma455... at gmail.com <ma455... at gmail.com>
> *Date: *Tuesday, 12 March 2024 at 01:20
> *To: *cp2k <cp... at googlegroups.com>
> *Subject: *[CP2K:20016] Output file was overwritten by warnings
>
> Hi,
>
>  
>
> I've encountered situations where errors or warnings cause the entire 
> output file to be overwritten (as attached). I'm curious about the cause of 
> this and how to prevent it from happening.
>
>  
>
> Regards,
>
> Hongyang
>
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