[CP2K-user] [CP2K:21704] Fwd: Need help regarding cp2k

[Kaustubh Pathak]

The output as mentioned is very large and the slurm out file doesn't
indicate any error. And in the given system there is a Mo2C slab and above
it is the KCl melt . Please guide me for that.

On Wed, 30 Jul 2025, 13:49 朱雀, <wanghong.id at gmail.com> wrote:

> Hi, I've had a general look through your input file and there are a lot of
> questions, I was hoping you could upload me the following result file,
> something like a .log file.
>
> Kaustubh Pathak <kaustubhpathak936 at gmail.com> 于2025年7月30日周三 01:40写道：
>
>> I am a cp2k beginner and have encountered some issues regarding it. I am
>> trying to optimize the geometry of 152 atoms which includes C, Cl, K and
>> Mo. I am attaching the input file please let me know why the restart files
>> are not generated. My output file reached 576 GB and then terminated due
>> timeout.
>>
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