[CP2K-user] [CP2K:20020] Restarting from WaveFunction

[Gowtham Nirmal]

Dear CP2K Community,

I've been a user of CP2K for the past two years, specifically working with 
the version 9.0 Development release, compiled on our HPC infrastructure 
using Intel compilers (iccifort and imkl). Following a recent update to our 
HPC's libraries, I transitioned to CP2K version 2023 and compiled it using 
GCC 13.2.0.

I've encountered a challenge where I'm unable to restart wavefunctions 
generated by version 9.0 with my newly compiled CP2K version 2023. I'm 
trying to determine whether this issue stems from the version change or if 
it could be attributed to something else entirely. Has anyone else faced a 
similar situation, or could anyone offer insights or solutions to this 
issue?

Any guidance or recommendations from the community would be greatly 
appreciated.

Best regards,

MSc Gowtham N J

-- 
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/e7925d69-bef2-4a51-a4d6-6cecce01088an%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240312/40ef0e0c/attachment.htm>