[CP2K-user] [CP2K:19783] TMC and parallel run of the energy input file

[W. L.]

Hi all,

I was playing with the TMC example 
at https://www.cp2k.org/exercises:2014_ethz_mmm:monte_carlo_ice.  It seems 
that the mc part was serial while the analysis can be mpi.  In this 
tutorial, it also mentioned that there is a DFT version 
at https://dx.doi.org/10.1021%2Fjp4103355.  Then I am wondering how this is 
possible if the energy calculation part doesn't use mpi.

I also tried to use a DFT version of the energy input file and confirmed 
that the energy calculation only used 1 mpi rank (cp2k 2023.2).

Thanks, Wei

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