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

[Maxime Van den Bossche]

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 
time),
but only with IntelMPI, whereas OpenMPI was fine (unfortunately I don't
remember the versions).

Best,
Maxime
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