[CP2K-user] cp2k gets stuck in high performance computer

[Xiaoliu]

Hi all,

I met a problem when running cp2k in Louisiana optical Network 
Infrastructure (Loni).When submitting input file, the output file gets 
stuck after a certain line while the job is not killed if 4 or 6 nodes are 
used. However, if I use 1,2, 8, 11, 12, 16, 24, and even 85 nodes, it works.

Also, when starting from restart file, cp2k gets stuck with 12 nodes (I'm 
testing other numbers of nodes also, and they're in queue).

My system is acetic acid and methylimidazole mixture in a 19 A cubic box 
under Quickstart, nvt.

Does anyone have any idea how to solve this problem?

Regards,
Xiaoliu
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