Hi, Roberto Scipioni <[email protected]> writes:
> Hi, > > If it is I am not sure Easybuild can do anything about it or can they? I was just wondering whether this really is the case, as the claim seemed a little unlikely to me. In fact it seems that there is indeed a problem, which however is connected to the version of MPI used: https://groups.google.com/g/cp2k/c/BJ9c21ey0Ls So potentially there could be an EasyBuild solution involving a combination of CP2K and MPI which does not have the issue. Alternatively people seem to be using containers: https://groups.google.com/g/cp2k/c/uEodASnEFfQ Cheers, Loris > Regards > Roberto > > 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
