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performance [2019/04/28 13:19]
2a02:908:2221:ede0:7194:cbb5:ee3c:6a7d [H2O-64-RI-MP2]
performance [2019/11/18 15:13] (current)
jwilhelm
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 The benchmark is available (along with other water systems) from the CP2K source distribution:​ The benchmark is available (along with other water systems) from the CP2K source distribution:​
-[[src>tests/QS/benchmark/]]+[[src>benchmarks/QS/]]
  
 === Results === === Results ===
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 | Piz Daint | Cray XC30 | 12/05/2015 | 15268 | 19.885 | 192 cores | 1 OMP thread per MPI task, no GPU | [[performance:​piz-daint-h2o-64]] | | Piz Daint | Cray XC30 | 12/05/2015 | 15268 | 19.885 | 192 cores | 1 OMP thread per MPI task, no GPU | [[performance:​piz-daint-h2o-64]] |
 | Cirrus | SGI ICE XA | 24/11/2016 | 17566 | 15.560 | 1152 cores | 9 OMP threads per MPI task | [[performance:​cirrus-h2o-64]] | | Cirrus | SGI ICE XA | 24/11/2016 | 17566 | 15.560 | 1152 cores | 9 OMP threads per MPI task | [[performance:​cirrus-h2o-64]] |
-| Noctua | Cray CS500 | 27/04/2019 | 3cf5f249 ​16.320 cores | OMP thread per MPI task | [[performance:​noctua-h2o-64]] |+| Noctua | Cray CS500 | 25/09/2019 | 9f58d81 ​13.640 cores | 10 OMP thread per MPI task | [[performance:​noctua-h2o-64]] |
  
 ==== Fayalite-FIST ==== ==== Fayalite-FIST ====
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 The benchmark is available from the CP2K source distribution:​ The benchmark is available from the CP2K source distribution:​
-[[src>tests/Fist/benchmark/]]+[[src>benchmarks/Fist/]]
  
 === Results === === Results ===
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 | Piz Daint | Cray XC30 | 12/05/2015 | 15268 | 207.972 | 512 cores | 2 OMP threads per MPI task, no GPU | [[performance:​piz-daint-fayalite-fist]] | | Piz Daint | Cray XC30 | 12/05/2015 | 15268 | 207.972 | 512 cores | 2 OMP threads per MPI task, no GPU | [[performance:​piz-daint-fayalite-fist]] |
 | Cirrus | SGI ICE XA | 24/11/2016 | 17566 | 166.192 | 576 cores | 2 OMP threads per MPI task | [[performance:​cirrus-fayalite-fist]] | | Cirrus | SGI ICE XA | 24/11/2016 | 17566 | 166.192 | 576 cores | 2 OMP threads per MPI task | [[performance:​cirrus-fayalite-fist]] |
-| Noctua | Cray CS500 | 27/04/2019 | 3cf5f249 ​139.177 320 cores | OMP thread per MPI task | [[performance:​noctua-fayalite-fist]] |+| Noctua | Cray CS500 | 25/09/2019 | 9f58d81 ​119.820 2560 cores | 10 OMP thread per MPI task | [[performance:​noctua-fayalite-fist]] |
  
 ==== LiH-HFX ==== ==== LiH-HFX ====
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 === Availability === === Availability ===
  
-The benchmark is available from [[src>tests/QS/​benchmark_HFX/LiH/]].+The benchmark is available from [[src>benchmarks/QS_HFX/LiH/]].
  
 === Results === === Results ===
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 | 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]] |
-| Noctua | Cray CS500 | 27/04/2019 | 3cf5f249 ​203.092 5120 cores | OMP thread per MPI task | [[performance:​noctua-lih-hfx]] |+| Noctua | Cray CS500 | 25/09/2019 | 9f58d81 ​131.290 10240 cores | 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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 The benchmark input file used to generate these results is {{performance:​h2o-dft-ls-4.inp.gz|available here}}. The benchmark input file used to generate these results is {{performance:​h2o-dft-ls-4.inp.gz|available here}}.
  
-It is a slightly modified version of the more general one in the CP2K SVN at [[src>tests/QS/​benchmark_DM_LS/​H2O-dft-ls.inp]],​ where the problem size can be tuned by a parameter NREP. +It is a slightly modified version of the more general one in the CP2K github ​at [[src>benchmarks/QS_DM_LS/​H2O-dft-ls.inp]],​ where the problem size can be tuned by a parameter NREP. 
  
 === Results === === Results ===
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 | Piz Daint | Cray XC30 | 12/05/2015 | 15268 | 27.900 | 32768 cores | 2 OMP threads per MPI task, no GPU | [[performance:​piz-daint-h2o-dft-ls]] | | Piz Daint | Cray XC30 | 12/05/2015 | 15268 | 27.900 | 32768 cores | 2 OMP threads per MPI task, no GPU | [[performance:​piz-daint-h2o-dft-ls]] |
 | Cirrus | SGI ICE XA | 24/11/2016 | 17566 | 543.032 | 2016 cores | 2 OMP threads per MPI task | [[performance:​cirrus-h2o-dft-ls]] | | Cirrus | SGI ICE XA | 24/11/2016 | 17566 | 543.032 | 2016 cores | 2 OMP threads per MPI task | [[performance:​cirrus-h2o-dft-ls]] |
-| Noctua | Cray CS500 | 27/04/2019 | 3cf5f249 ​77.413 5120 cores | OMP thread per MPI task | [[performance:​noctua-h2o-dft-ls]] |+| Noctua | Cray CS500 | 25/09/2019 | 9f58d81 ​37.730 10240 cores | 10 OMP thread per MPI task | [[performance:​noctua-h2o-dft-ls]] |
  
 ==== H2O-64-RI-MP2 ==== ==== H2O-64-RI-MP2 ====
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 === Availability === === Availability ===
  
-The benchmark is in the CP2K SVN at: [[src>tests/QS/​benchmark_mp2_rpa/64-H2O/]].+The benchmark is in the CP2K github ​at: [[src>benchmarks/QS_mp2_rpa/64-H2O/]].
  
 === Results === === Results ===
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 | Piz Daint | Cray XC30 | 12/05/2015 | 15268 | 48.15 | 32768 cores | 8 OMP threads per MPI task, no GPU | [[performance:​piz-daint-h2o-64-ri-mp2]] | | Piz Daint | Cray XC30 | 12/05/2015 | 15268 | 48.15 | 32768 cores | 8 OMP threads per MPI task, no GPU | [[performance:​piz-daint-h2o-64-ri-mp2]] |
 | Cirrus | SGI ICE XA | 24/11/2016 | 17566 | 303.571 | 2016 cores | 1 OMP thread per MPI task | [[performance:​cirrus-h2o-64-ri-mp2]] | | Cirrus | SGI ICE XA | 24/11/2016 | 17566 | 303.571 | 2016 cores | 1 OMP thread per MPI task | [[performance:​cirrus-h2o-64-ri-mp2]] |
-| Noctua | Cray CS500 | 27/04/2019 | 3cf5f249 ​101.617 5120 cores | OMP thread per MPI task | [[performance:​noctua-h2o-64-ri-mp2]] |+| Noctua | Cray CS500 | 25/09/2019 | 9f58d81 ​82.571 10240 cores | OMP thread per MPI task | [[performance:​noctua-h2o-64-ri-mp2]] |
  
performance.1556457570.txt.gz ยท Last modified: 2019/04/28 13:19 by 2a02:908:2221:ede0:7194:cbb5:ee3c:6a7d