[CP2K-user] [CP2K:19979] *** WARNING in fm/cp_fm_elpa.F:522 :: Setting real_kernel for ELPA failed ***

[Max Nishibuchi]

Hello all, 

I have been trying to perform a geometric optimization on a polycarbonate 
structure, and I repeatedly see the following warning appear in the output 
file despite the relaxation continuing. 

 *** WARNING in fm/cp_fm_elpa.F:522 :: Setting real_kernel for ELPA failed 
***

I am running the simulation using the most recent generic openmpi Docker 
container (available here <https://hub.docker.com/r/cp2k/cp2k/tags/>, 2024.1_openmpi_generic_psmp). 
I have been able to converge geometric optimizations in the past while this 
warning was still present. 

Do I need to worry about this warning? It's not clear to me what role 
real_kernel plays in the simulation. I've attached my input file for the 
sake of replication. 

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