CP2K Open Source Molecular Dynamics

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performance [2020/07/24 14:07] – alazzaroperformance [2020/11/10 13:29] (current) – removed Noctua LiH-HFX results because faulty rschade
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 | Piz Daint | Cray XC30  | 12/05/2015 | [[commit>f439118]] | 66.051 | 32768 cores | 4 OMP threads per MPI task, no GPU | [[performance:piz-daint-lih-hfx]] | | Piz Daint | Cray XC30  | 12/05/2015 | [[commit>f439118]] | 66.051 | 32768 cores | 4 OMP threads per MPI task, no GPU | [[performance:piz-daint-lih-hfx]] |
 | Cirrus    | SGI ICE XA | 24/11/2016 | [[commit>989a92c]] | 483.676 | 2016 cores | 6 OMP threads per MPI task | [[performance:cirrus-lih-hfx]] | | Cirrus    | SGI ICE XA | 24/11/2016 | [[commit>989a92c]] | 483.676 | 2016 cores | 6 OMP threads per MPI task | [[performance:cirrus-lih-hfx]] |
-| Noctua    | Cray CS500 | 25/09/2019 | [[commit>9f58d81]] | 131.290 | 10240 cores | 4 OMP thread per MPI task | [[performance:noctua-lih-hfx]] | 
  
 (*) Prior to r14945, a bug resulted in an underestimation of the number of ERIs which should be computed (by roughly 50% for this benchmark.  Therefore these results cannot be compared directly with later ones. (*) Prior to r14945, a bug resulted in an underestimation of the number of ERIs which should be computed (by roughly 50% for this benchmark.  Therefore these results cannot be compared directly with later ones.
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