[CP2K-user] [CP2K:19490] Multiples WALKERS

Nacho Sanz Martinez naxo.sanzmartinez at gmail.com
Fri Nov 10 08:37:15 UTC 2023


Hello everyone, I have installed CP2K as docker on my workstation.
I'm currently trying to run QM/MM metadynamics with PLUMED and using 
multiple walkers.
I have a problem with the WALKERS_DIR= command.
cp2k only writes the HILLS file if WALKER_DIR=./, but I would like to use a 
general directory to save the different HILLS files.
if I use WALKERS_DIR=../  cp2k it doesn't write any file.
Does anyone have a similar problem? Could anyone tell me a solution?

Nacho

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