[CP2K-user] [CP2K:17226] Re: CP2K SCF taking longer after each successive

[Matthew Graneri]

Sorry for the late reply. Thankfully, the job finished! There might have 
been an issue with the HPC - after the first few days, the timings started 
to become more regular. That being said, I'll attach the final output with 
the timing summary below, just in case anything jumps out at you as looking 
strange (I don't understand what each time refers to, or what 'looks 
right')...

For context, this job was run with the command: mpirun -np 25 cp2k.popt -i 
xxx -o xxx

Regards,

Matthew

-- 
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/119e6a5c-ee2e-49f9-91d4-b2a46926fdc4n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220624/5a71f216/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: timings
Type: application/octet-stream
Size: 5510 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220624/5a71f216/attachment-0001.obj>