Hi,
If it is I am not sure Easybuild can do anything about it or can 
they?RegardsRoberto

    Il mercoledì 20 novembre 2024 alle ore 10:43:52 GMT, Loris Bennett 
<[email protected]> ha scritto:  
 
 Hi,

One of our users claims that long runs with the following CP2K versions
 
  CP2K/7.1-intel-2020b
  CP2K/8.2-foss-2021a,
  CP2K/8.2-intel-2021a
  CP2K/2023.1-foss-2023a

are not possible due to memory leaks.  I'm not sure exactly what "long"
means - none of the jobs seem to have run for longer than 2 hours.

Are significant memory leaks with CP2K a known problem?

Cheers,

Loris

-- 
Dr. Loris Bennett (Herr/Mr)
FUB-IT, Freie Universität Berlin
  

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