CP2K Open Source Molecular Dynamics

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performance [2017/03/24 16:13] – 79.64.85.68performance [2017/03/30 10:23] – [LiH-HFX] 129.215.62.120
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 ^ Machine Name ^ Architecture ^ Date ^ SVN Revision ^ Fastest time (s) ^ Configuration ^^ Detailed results ^ ^ Machine Name ^ Architecture ^ Date ^ SVN Revision ^ Fastest time (s) ^ Configuration ^^ Detailed results ^
-| HECToR | Cray XE6 | 21/1/2014 | 13196 | 121.362 | 65536 cores | 8 OMP threads per MPI task | [[performance:hector-lih-hfx]] | +| HECToR | Cray XE6 | 21/1/2014 | 13196(*) | 121.362 | 65536 cores | 8 OMP threads per MPI task | [[performance:hector-lih-hfx]] | 
-| ARCHER | Cray XC30 | 9/1/2014 | 13473 | 51.172 | 49152 cores | 6 OMP threads per MPI task | [[performance:archer-lih-hfx]] | +| ARCHER | Cray XC30 | 9/1/2014 | 13473(*) | 51.172 | 49152 cores | 6 OMP threads per MPI task | [[performance:archer-lih-hfx]] | 
-| Magnus | Cray XC40 | 10/11/2014 | 14377 | 62.075 | 24576 cores | 4 OMP threads per MPI task | [[performance:magnus-lih-hfx]] | +| Magnus | Cray XC40 | 10/11/2014 | 14377(*) | 62.075 | 24576 cores | 4 OMP threads per MPI task | [[performance:magnus-lih-hfx]] | 
-| Piz Daint | Cray XC30 | 12/05/2015 | 15268(*) | 66.051 | 32768 cores | 4 OMP threads per MPI task, no GPU | [[performance:piz-daint-lih-hfx]] | +| Piz Daint | Cray XC30 | 12/05/2015 | 15268 | 66.051 | 32768 cores | 4 OMP threads per MPI task, no GPU | [[performance:piz-daint-lih-hfx]] | 
-| Cirrus | SGI ICE XA | 24/11/2016 | 17566(*) | 483.676 | 2016 cores | 6 OMP threads per MPI task | [[performance:cirrus-lih-hfx]] | +| Cirrus | SGI ICE XA | 24/11/2016 | 17566 | 483.676 | 2016 cores | 6 OMP threads per MPI task | [[performance:cirrus-lih-hfx]] |
- +
-(*) Some time after Nov 2014, something changed resulting in around 50% more ERIs being included in the HFX calculation.  As a result, these results cannot be compared directly with previous 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.
 ==== H2O-DFT-LS ==== ==== H2O-DFT-LS ====
  
performance.txt · Last modified: 2020/11/10 13:29 by rschade