[CP2K-user] [CP2K:13773] Re: Running CP2K calc with ASE

Maxime Van den Bossche maxime.cp.... at gmail.com
Tue Aug 18 15:22:56 UTC 2020

Dear Aniruddha,

Did you compile/run your cp2k_shell executable with IntelMPI or OpenMPI?
A few years back, I had a similar problem as you (hanging after a certain 
but only with IntelMPI, whereas OpenMPI was fine (unfortunately I don't
remember the versions).

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