Differences

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--- performance [2019/10/18 09:51] – [H2O-64] rschade
+++ performance [2019/11/18 15:13] – jwilhelm
@@ Line 28: / Line 28: @@
 The benchmark is available (along with other water systems) from the CP2K source distribution:
-[[src>tests/QS/benchmark/]]
+[[src>benchmarks/QS/]]
 === Results ===
@@ Line 51: / Line 51: @@
 The benchmark is available from the CP2K source distribution:
-[[src>tests/Fist/benchmark/]]
+[[src>benchmarks/Fist/]]
 === Results ===
@@ Line 63: / Line 63: @@
 | 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]] |
-| Noctua | Cray CS500 | 27/04/2019 | 3cf5f249 | 139.177 | 320 cores | 1 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 ====
@@ Line 73: / Line 73: @@
 === Availability ===
-The benchmark is available from [[src>tests/QS/benchmark_HFX/LiH/]].
+The benchmark is available from [[src>benchmarks/QS_HFX/LiH/]].
 === Results ===
@@ Line 85: / Line 85: @@
 | 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]] |
-| Noctua | Cray CS500 | 27/04/2019 | 3cf5f249 | 203.092 | 5120 cores | 1 OMP thread per MPI task | [[performance:noctua-lih-hfx]] |
+| Noctua | Cray CS500 | 25/09/2019 | 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.
@@ Line 98: / Line 98: @@
 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 ===
@@ Line 110: / Line 110: @@
 | 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]] |
-| Noctua | Cray CS500 | 27/04/2019 | 3cf5f249 | 77.413 | 5120 cores | 1 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 ====
@@ Line 120: / Line 120: @@
 === 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 ===
@@ Line 132: / Line 132: @@
 | 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]] |
-| Noctua | Cray CS500 | 27/04/2019 | 3cf5f249 | 101.617 | 5120 cores | 1 OMP thread per MPI task | [[performance:noctua-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]] |