[CP2K-user] [CP2K:18457] fes.dat generation (docker)

Nacho Sanz Martinez naxo.sanzmartinez at gmail.com
Thu Feb 16 16:14:12 UTC 2023

Hi all.
we were trying to install cp2k in the workstation but we couldn't, but a 
colleague could install cp2k in a docker.
i can run cp2k with
$run docker ....
in fact, i've a metadynamic finished (with this METADYN_1.restart ), but i 
have a problem, i can't get the fes.dat to see the energy.
i try to search something similar a graph.() in my docker but it doesn't 
have it or i can't find it.
Can someone give me tips to get this file or how i can install graph-tools 
in the docker?



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