[CP2K-user] [CP2K:17822] Frequence analysis got stuck and the program keep running

[Jessie wang]

Thank you so much for help. I think you are right.

However, actually I was tried with 2 nodes 128 cores, there is no error and 
no update in out profile, just kept running. 
Just now, I tried 96 core within 1 nodes, it runs normally.

Is that frequence analysis can not run within more than one node? what 
should I do if one node can not provide enough memory for the calculation?

Thank you  again !

On Friday, October 7, 2022 at 4:14:58 PM UTC+8 Matthias Krack wrote:

> Hi
>
>  
>
> Without any error message, I can only guess that it is a memory issue, 
> because your system might be too large to run each replica just on 16 CPU 
> cores. Try to increase NPROC_REP to 64 which will run only 2 replica in 
> parallel (2x64).
>
>  
>
> HTH
>
>  
>
> Matthias
>
>  
>
> *From: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
> Jessie wang <wangch... at gmail.com>
> *Date: *Thursday, 6 October 2022 at 19:39
> *To: *cp2k <cp... at googlegroups.com>
> *Subject: *[CP2K:17819] Frequence analysis got stuck and the program keep 
> running
>
> Dear All,
>
>  
>
> I'm running a frequence analysis with 128 cores after geometry 
> optmization. But it got stuck somewhere with no error. The program keep 
> running without any update in out file. I'm really appreciate it if there 
> is any suggestion based on this.
>
>  
>
>  
>
> Thank you ! 
>
> -- 
> 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+uns... at googlegroups.com.
> To view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/022b7ad1-cc70-4f29-877e-083f199ce7b9n%40googlegroups.com 
> <https://groups.google.com/d/msgid/cp2k/022b7ad1-cc70-4f29-877e-083f199ce7b9n%40googlegroups.com?utm_medium=email&utm_source=footer>
> .
>

-- 
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/dfeb0451-c77e-462e-83e8-3ff956daaf22n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221007/e200f147/attachment.htm>