[CP2K-user] A question about running plumed together with cp2k

Hang LYU terryh... at gmail.com
Thu Apr 15 07:51:59 UTC 2021


Dear users and developers,
   I am running a dft-based metadynamics using cp2k and plumed. I follow 
the instruction in the cp2k website to trigger the plumed interface, and 
cp2k can successfully run together with plumed. However, the simulation 
doesn't write the HILLS file after it was created. The HILLS file remains 
vacant after 7000 timesteps (The stride I set to dump the gaussian hills is 
500). My question is whether anyone in the group also encountered this kind 
of problem when running cp2k together with plumed. Does this means that 
there are some problems in building the interface between cp2k and plumed?

Best wishes,
Hang LYU
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