[CP2K-user] [CP2K:20016] Output file was overwritten by warnings

[Krack Matthias]

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: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of ma455... at gmail.com <ma455173220 at gmail.com>
Date: Tuesday, 12 March 2024 at 01:20
To: cp2k <cp2k 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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