[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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