[CP2K-user] Getting cp2k to work with ASE

[Maxime Van den Bossche]

Dear Hasan,

Are you using OpenMPI? If so, you may try the "-mca btl ^openib" option, 
i.e.:

mpirun -np 2 -mca btl ^openib cp2k_shell.popt 

That's something I need to do get the ASE interface to work. It might also 
be prudent to first
check that it works via a regular session on your remote machine, before 
trying via SSH.

Best,
Maxime
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