[CP2K-user] [CP2K:20422] Hanging job during MD

[Simone Ritarossi]

Dear all,
during my MD (ENSEMBLE LANGEVIN), after about 600 timesteps, I have the run 
freeze without any CRASH. I would like to point out that this job has never 
given me any problems before. The helpdesk assured me that there are no 
problems with CP2K on the machine (compilation, modules, 
parallelisation...). I cannot understand the problem: I have done this 
project dozens of times before! I attach input, output and .sh files. 

Thank you for your help!  

Simone


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