[CP2K-user] cp2k_shell stucked at sending positions

Maxime Van den Bossche maxime.cp.v... at gmail.com
Sat Nov 10 17:01:04 UTC 2018


You're welcome -- I hope it helps, I remember this was 
a very annoying (and puzzling) problem when I first 
encountered it!

If you know the path to your cp2k_shell.popt binary,
you can look at the output of the "ldd" command, and
that should contain references to either IntelMPI or 
OpenMPI (or yet other) libraries, e.g.

ldd <path to binary>
or (if the directory with the CP2K binaries is in your $PATH):
ldd `which cp2k_shell.popt`

--Maxime

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