CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Trace:
performance

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revisionBoth sides next revision
performance [2019/11/18 15:13] – jwilhelmperformance [2020/07/07 12:04] – Replace svn revision with git commit SHAs oschuett
Line 34: Line 34:
 The best configurations are shown below. Click the links to see more detail. The best configurations are shown below. Click the links to see more detail.
  
-^ Machine Name ^ Architecture ^ Date ^ SVN Revision ^ Fastest time (s) ^ Configuration ^^ Detailed results ^ +^ Machine Name ^ Architecture ^ Date ^ Git Commit ^ Fastest time (s) ^ Configuration ^^ Detailed results ^ 
-| HECToR | Cray XE6 | 21/1/2014 | 13196 | 39.066 | 512 cores | 2 OMP threads per MPI task | [[performance:hector-h2o-64]] | +| HECToR    | Cray XE6   | 21/01/2014 | [[commit>82b8204]] | 39.066 | 512 cores | 2 OMP threads per MPI task | [[performance:hector-h2o-64]] | 
-| ARCHER | Cray XC30 | 8/1/2014 | 13473 | 18.11 | 576 cores | 1 OMP thread per MPI task | [[performance:archer-h2o-64]] | +| ARCHER    | Cray XC30  | 08/01/2014 | [[commit>292a983]] | 18.11 | 576 cores | 1 OMP thread per MPI task | [[performance:archer-h2o-64]] | 
-| Magnus | Cray XC40 | 22/10/2014 | 14377 | 17.275 | 384 cores | 1 OMP thread per MPI task | [[performance:magnus-h2o-64]] | +| Magnus    | Cray XC40  | 22/10/2014 | [[commit>27eacee]] | 17.275 | 384 cores | 1 OMP thread per MPI task | [[performance:magnus-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]] | +| Piz Daint | Cray XC30  | 12/05/2015 | [[commit>f439118]] | 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 | [[commit>989a92c]] | 15.560 | 1152 cores | 9 OMP threads per MPI task | [[performance:cirrus-h2o-64]] | 
-| Noctua | Cray CS500 | 25/09/2019 | 9f58d81 | 13.3 | 640 cores | 10 OMP thread per MPI task | [[performance:noctua-h2o-64]] |+| Noctua    | Cray CS500 | 25/09/2019 | [[commit>9f58d81]] | 13.3 | 640 cores | 10 OMP thread per MPI task | [[performance:noctua-h2o-64]] |
  
 ==== Fayalite-FIST ==== ==== Fayalite-FIST ====
Line 57: Line 57:
 The best configurations are shown below. Click the links to see more detail. The best configurations are shown below. Click the links to see more detail.
  
-^ Machine Name ^ Architecture ^ Date ^ SVN Revision ^ Fastest time (s) ^ Configuration ^^ Detailed results ^ +^ Machine Name ^ Architecture ^ Date ^ Git Commit ^ Fastest time (s) ^ Configuration ^^ Detailed results ^ 
-| HECToR | Cray XE6 | 21/1/2014 | 13196 | 403.928 | 2048 cores | 4 OMP threads per MPI task | [[performance:hector-fayalite-fist]] | +| HECToR    | Cray XE6   | 21/01/2014 | [[commit>82b8204]] | 403.928 | 2048 cores | 4 OMP threads per MPI task | [[performance:hector-fayalite-fist]] | 
-| ARCHER | Cray XC30 | 9/1/2014 | 13473 | 197.117 | 576 cores | 6 OMP threads per MPI task | [[performance:archer-fayalite-fist]] | +| ARCHER    | Cray XC30  | 09/01/2014 | [[commit>292a983]] | 197.117 | 576 cores | 6 OMP threads per MPI task | [[performance:archer-fayalite-fist]] | 
-| Magnus | Cray XC40 | 6/11/2014 | 14377 | 150.493 | 768 cores | 6 OMP threads per MPI task | [[performance:magnus-fayalite-fist]] | +| Magnus    | Cray XC40  | 06/11/2014 | [[commit>27eacee]] | 150.493 | 768 cores | 6 OMP threads per MPI task | [[performance:magnus-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]] | +| Piz Daint | Cray XC30  | 12/05/2015 | [[commit>f439118]] | 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 | [[commit>989a92c]] | 166.192 | 576 cores | 2 OMP threads per MPI task | [[performance:cirrus-fayalite-fist]] | 
-| Noctua | Cray CS500 | 25/09/2019 | 9f58d81 | 119.820 | 2560 cores | 10 OMP thread per MPI task | [[performance:noctua-fayalite-fist]] |+| Noctua    | Cray CS500 | 25/09/2019 | [[commit>9f58d81]] | 119.820 | 2560 cores | 10 OMP thread per MPI task | [[performance:noctua-fayalite-fist]] |
  
 ==== LiH-HFX ==== ==== LiH-HFX ====
Line 79: Line 79:
 The best configurations are shown below. Click the links to see more detail. The best configurations are shown below. Click the links to see more detail.
  
-^ Machine Name ^ Architecture ^ Date ^ SVN Revision ^ Fastest time (s) ^ Configuration ^^ Detailed results ^ +^ Machine Name ^ Architecture ^ Date ^ Git Commit ^ 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   | 21/01/2014 | [[commit>82b8204]] (*) | 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  | 09/01/2014 | [[commit>292a983]] (*) | 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 | [[commit>27eacee]] (*) | 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 | [[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 | 17566 | 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 | 9f58d81 | 131.290 | 10240 cores | 4 OMP thread per MPI task | [[performance:noctua-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.
Line 104: Line 104:
 The best configurations are shown below. Click the links to see more detail. The best configurations are shown below. Click the links to see more detail.
  
-^ Machine Name ^ Architecture ^ Date ^ SVN Revision ^ Fastest time (s) ^ Configuration ^^ Detailed results ^ +^ Machine Name ^ Architecture ^ Date ^ Git Commit ^ Fastest time (s) ^ Configuration ^^ Detailed results ^ 
-| HECToR | Cray XE6 | 16/1/2014 | 13196 | 98.256 | 65536 cores | 8 OMP threads per MPI task | [[performance:hector-h2o-dft-ls]] | +| HECToR    | Cray XE6   | 16/01/2014 | [[commit>82b8204]] | 98.256 | 65536 cores | 8 OMP threads per MPI task | [[performance:hector-h2o-dft-ls]] | 
-| ARCHER | Cray XC30 | 8/1/2014 | 13473 | 28.476 | 49152 cores | 4 OMP threads per MPI task | [[performance:archer-h2o-dft-ls]] | +| ARCHER    | Cray XC30  | 08/01/2014 | [[commit>292a983]] | 28.476 | 49152 cores | 4 OMP threads per MPI task | [[performance:archer-h2o-dft-ls]] | 
-| Magnus | Cray XC40 | 3/12/2014 | 14377 | 30.921 | 24576 cores | 2 OMP threads per MPI task | [[performance:magnus-h2o-dft-ls]] | +| Magnus    | Cray XC40  | 03/12/2014 | [[commit>27eacee]] | 30.921 | 24576 cores | 2 OMP threads per MPI task | [[performance:magnus-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]] | +| Piz Daint | Cray XC30  | 12/05/2015 | [[commit>f439118]] | 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 | [[commit>989a92c]] | 543.032 | 2016 cores | 2 OMP threads per MPI task | [[performance:cirrus-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]] |+| Noctua    | Cray CS500 | 25/09/2019 | [[commit>9f58d81]] | 37.730 | 10240 cores | 10 OMP thread per MPI task | [[performance:noctua-h2o-dft-ls]] |
  
 ==== H2O-64-RI-MP2 ==== ==== H2O-64-RI-MP2 ====
Line 126: Line 126:
 The best configurations are shown below. Click the links to see more detail. The best configurations are shown below. Click the links to see more detail.
  
-^ Machine Name ^ Architecture ^ Date ^ SVN Revision ^ Fastest time (s) ^ Configuration ^^ Detailed results ^ +^ Machine Name ^ Architecture ^ Date ^ Git Commit ^ Fastest time (s) ^ Configuration ^^ Detailed results ^ 
-| HECToR | Cray XE6 | 13/1/2014 | 13196 | 141.633 | 49152 cores | 8 OMP threads per MPI task | [[performance:hector-h2o-64-ri-mp2]] | +| HECToR    | Cray XE6   | 13/01/2014 | [[commit>82b8204]] | 141.633 | 49152 cores | 8 OMP threads per MPI task | [[performance:hector-h2o-64-ri-mp2]] | 
-| ARCHER | Cray XC30 | 9/1/2014 | 13473 | 83.945 | 36864 cores | 4 OMP threads per MPI task | [[performance:archer-h2o-64-ri-mp2]] | +| ARCHER    | Cray XC30  | 09/01/2014 | [[commit>292a983]] | 83.945 | 36864 cores | 4 OMP threads per MPI task | [[performance:archer-h2o-64-ri-mp2]] | 
-| Magnus | Cray XC40 | 4/11/2014 | 14377 | 63.891 | 24576 cores | 6 OMP threads per MPI task | [[performance:magnus-h2o-64-ri-mp2]] | +| Magnus    | Cray XC40  | 04/11/2014 | [[commit>27eacee]] | 63.891 | 24576 cores | 6 OMP threads per MPI task | [[performance:magnus-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]] | +| Piz Daint | Cray XC30  | 12/05/2015 | [[commit>f439118]] | 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 | [[commit>989a92c]] | 303.571 | 2016 cores | 1 OMP thread per MPI task | [[performance:cirrus-h2o-64-ri-mp2]] | 
-| Noctua | Cray CS500 | 25/09/2019 | 9f58d81 | 82.571 | 10240 cores | 2 OMP thread per MPI task | [[performance:noctua-h2o-64-ri-mp2]] |+| Noctua    | Cray CS500 | 25/09/2019 | [[commit>9f58d81]] | 82.571 | 10240 cores | 2 OMP thread per MPI task | [[performance:noctua-h2o-64-ri-mp2]] |
  
performance.txt · Last modified: 2020/11/10 13:29 by rschade