[CP2K-user] [CP2K:18813] Re: Random error with refraj

[Peter Yang]

That's what I was thinking, 

Thanks 

Peter

On Wednesday, 10 May 2023 at 00:37:34 UTC-7 Marcella Iannuzzi wrote:

> Dear Peter Yang
>
> It is possible to start the REFTRAJ simulation from a specific 
>    
>    - FIRST_SNAPSHOT 
>    <https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/MOTION/MD/REFTRAJ.html#FIRST_SNAPSHOT>
>
> Since the REFTRAJ run is not a propagation in proper terms, no "restart" 
> is needed
>
> Regards
> Marcella
>  
> On Friday, May 5, 2023 at 7:59:49 PM UTC+2 Peter Yang wrote:
>
>> Hello Cp2k Users,
>>
>> I have a problem with the refraj in calculating the electronic density 
>> where the job simply fails for no apparent reason around 7 hours in.
>>
>> 1) Is there a solution to this random failing
>>
>> 2) Can I simply restart the calculation where it left off 
>>
>>
>> Thanks 
>>
>> Peter Yang 
>>
>>  (files are attached) 
>>
>

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/41e1f0e2-bd61-4ff5-937f-69ae24445f7cn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230515/ebe67314/attachment.htm>