Hello Sam
you have to provide more information (full input with atomic coordinates, how and where do you run the case?). Otherwise, most likely, nobody will look into the issue without being able to reproduce it.
Best regards
Matthias
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Hi Sam
I can confirm that your input hangs in libvori not only on Piz Daint (gpu as well as multi-core partition) but also on other systems. Maybe this is rather a libvori than a CP2K issue.
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