8173M跑CP2K-benchmark速度

nicheal · 发表于 Post on 2020-8-16 16:48:21

CP2K version 7.1
Version:psmp
Compiler: Intel(R) Compiler Version 18.0.5.274 Build 20180823
Target：xCORE-AVX512
CPU：Intel(R) Xeon(R) Platinum 8173M CPU @ 2.00GHz, HT

Run 1：benchmark/QS/H2O-64.inp
H2O-64                  Nodes R/N T/R Cases/d Seconds
cp2k-h2o64-1X36X3       1 36 3 2160 40.525
cp2k-h2o64-1X49X2       1 49 2 2057 42.155
cp2k-h2o64-1X25X4       1 25 4 2009 43.189
cp2k-h2o64-1X16X7       1 16 7 1963 44.022
cp2k-h2o64-1X16X3       1 16 3 1920 45.450
cp2k-h2o64-1X25X2       1 25 2 1920 45.934
cp2k-h2o64-1X49X1       1 49 1 1878 46.231
cp2k-h2o64-1X56X2       1 56 2 1878 46.445
cp2k-h2o64-1X56X1       1 56 1 1838 47.052
cp2k-h2o64-1X28X2       1 28 2 1838 47.695
cp2k-h2o64-1X28X4       1 28 4 1838 47.841
cp2k-h2o64-1X14X4       1 14 4 1694 51.088
cp2k-h2o64-1X9X6    1 9 6 1694 51.383
cp2k-h2o64-1X36X1       1 36 1 1661 52.193
cp2k-h2o64-1X9X12       1 9 12 1630 53.358
cp2k-h2o64-1X14X7       1 14 7 1600 54.125
cp2k-h2o64-1X4X14       1 4 14 1393 62.255
cp2k-h2o64-1X7X8    1 7 8 1289 67.710
cp2k-h2o64-1X4X28       1 4 28 1200 72.872
cp2k-h2o64-1X7X16       1 7 16 1152 75.952

Run 2: benchmark/QS/H2O-64.inp, change RUN_TYPE to Energy
H2O-64                  Nodes R/N T/R Cases/d Seconds
cp2k-h2o64-1X36X3       1 36 3 5400 16.458
cp2k-h2o64-1X49X2       1 49 2 5082 17.337
cp2k-h2o64-1X25X4       1 25 4 5082 17.595
cp2k-h2o64-1X16X3       1 16 3 4800 18.206
cp2k-h2o64-1X25X2       1 25 2 4800 18.526
cp2k-h2o64-1X49X1       1 49 1 4800 18.826
cp2k-h2o64-1X56X2       1 56 2 4800 18.915
cp2k-h2o64-1X56X1       1 56 1 4547 19.332
cp2k-h2o64-1X28X2       1 28 2 4547 19.440
cp2k-h2o64-1X28X4       1 28 4 4547 19.598
cp2k-h2o64-1X9X6    1 9 6 4320 20.440
cp2k-h2o64-1X14X4       1 14 4 4320 20.596
cp2k-h2o64-1X9X12       1 9 12 4320 20.619
cp2k-h2o64-1X36X1       1 36 1 4114 21.092
cp2k-h2o64-1X16X7       1 16 7 4114 21.332
cp2k-h2o64-1X14X8       1 14 8 4114 21.790
cp2k-h2o64-1X4X14       1 4 14 3756 23.653
cp2k-h2o64-1X4X28       1 4 28 3323 26.239
cp2k-h2o64-1X7X8    1 7 8 3323 26.465
cp2k-h2o64-1X7X16       1 7 16 2700 32.718

Run 3: benchmark/QS/H2O-32.inp, change RUN_TYPE to Energy
H2O-32                  Nodes R/N T/R Cases/d Seconds
cp2k-h2o32-1X36X3       1 36 3 10800 8.645
cp2k-h2o32-1X25X4       1 25 4 10800 8.649
cp2k-h2o32-1X16X7       1 16 7 10800 8.805
cp2k-h2o32-1X16X3       1 16 3 10800 8.988
cp2k-h2o32-1X25X2       1 25 2 9600 9.046
cp2k-h2o32-1X49X2       1 49 2 9600 9.058
cp2k-h2o32-1X49X1       1 49 1 9600 9.533
cp2k-h2o32-1X28X2       1 28 2 9600 9.961
cp2k-h2o32-1X14X4       1 14 4 9600 9.967
cp2k-h2o32-1X9X6    1 9 6 8640 10.021
cp2k-h2o32-1X9X12       1 9 12 8640 10.225
cp2k-h2o32-1X28X4       1 28 4 8640 10.325
cp2k-h2o32-1X36X1       1 36 1 8640 10.373
cp2k-h2o32-1X56X1       1 56 1 8640 10.532
cp2k-h2o32-1X4X14       1 4 14 8640 10.561
cp2k-h2o32-1X56X2       1 56 2 7854 11.038
cp2k-h2o32-1X14X8       1 14 8 7854 11.102
cp2k-h2o32-1X7X8    1 7 8 7200 12.800
cp2k-h2o32-1X7X16       1 7 16 6171 14.493
cp2k-h2o32-1X4X28       1 4 28 5760 15.984

Run 4: benchmark/QS/H2O-128.inp, change RUN_TYPE to Energy
H2O-128             Nodes R/N T/R Cases/d Seconds
cp2k-h2o128-1X36X3      1 36 3 2335 37.221
cp2k-h2o128-1X49X2      1 49 2 2273 38.796
cp2k-h2o128-1X25X4      1 25 4 2273 38.914
cp2k-h2o128-1X16X3      1 16 3 2107 41.069
cp2k-h2o128-1X25X2      1 25 2 2107 41.144
cp2k-h2o128-1X49X1      1 49 1 2107 41.865
cp2k-h2o128-1X56X1      1 56 1 1963 44.722
cp2k-h2o128-1X28X4      1 28 4 1920 45.039
cp2k-h2o128-1X16X7      1 16 7 1878 46.231
cp2k-h2o128-1X14X4      1 14 4 1878 46.826
cp2k-h2o128-1X36X1      1 36 1 1878 46.988
cp2k-h2o128-1X28X2      1 28 2 1800 48.087
cp2k-h2o128-1X9X6       1 9 6 1800 48.751
cp2k-h2o128-1X56X2      1 56 2 1763 49.698
cp2k-h2o128-1X9X12      1 9 12 1728 50.562
cp2k-h2o128-1X14X8      1 14 8 1570 55.386
cp2k-h2o128-1X4X14      1 4 14 1393 62.455
cp2k-h2o128-1X7X8       1 7 8 1350 64.701
cp2k-h2o128-1X4X28      1 4 28 1216 71.119
cp2k-h2o128-1X7X16      1 7 16 1152 75.96

Run 5: benchmark/QS/H2O-256.inp, change RUN_TYPE to Energy
H2O-256             Nodes R/N T/R Cases/d Seconds
cp2k-h2o256-1X36X3      1 36 3 785 110.012
cp2k-h2o256-1X49X2      1 49 2 764 113.217
cp2k-h2o256-1X25X4      1 25 4 744 116.089
cp2k-h2o256-1X49X1      1 49 1 732 118.452
cp2k-h2o256-1X25X2      1 25 2 732 118.584
cp2k-h2o256-1X16X3      1 16 3 714 121.694
cp2k-h2o256-1X16X7      1 16 7 669 129.046
cp2k-h2o256-1X14X4      1 14 4 664 130.934
cp2k-h2o256-1X36X1      1 36 1 644 134.360
cp2k-h2o256-1X28X2      1 28 2 640 135.239
cp2k-h2o256-1X56X2      1 56 2 640 135.799
cp2k-h2o256-1X56X1      1 56 1 608 142.099
cp2k-h2o256-1X28X4      1 28 4 608 142.127
cp2k-h2o256-1X14X8      1 14 8 608 142.978
cp2k-h2o256-1X9X6       1 9 6 600 144.074
cp2k-h2o256-1X9X12      1 9 12 568 152.368
cp2k-h2o256-1X4X14      1 4 14 472 183.611
cp2k-h2o256-1X7X8       1 7 8 462 187.238
cp2k-h2o256-1X4X28      1 4 28 407 212.686
cp2k-h2o256-1X7X16      1 7 16 401 215.175

Run 6: benchmark/QS/H2O-512.inp, change RUN_TYPE to Energy
H2O-512             Nodes R/N T/R Cases/d Seconds
cp2k-h2o512-1X36X3      1 36 3 207 416.270
cp2k-h2o512-1X25X2      1 25 2 206 418.926
cp2k-h2o512-1X16X3      1 16 3 200 432.646
cp2k-h2o512-1X49X1      1 49 1 198 435.558
cp2k-h2o512-1X25X4      1 25 4 196 440.873
cp2k-h2o512-1X49X2      1 49 2 194 444.971
cp2k-h2o512-1X36X1      1 36 1 190 454.706
cp2k-h2o512-1X14X4      1 14 4 188 459.049
cp2k-h2o512-1X28X2      1 28 2 182 474.315
cp2k-h2o512-1X9X6       1 9 6 174 494.716
cp2k-h2o512-1X16X7      1 16 7 173 498.460
cp2k-h2o512-1X28X4      1 28 4 168 512.573
cp2k-h2o512-1X14X8      1 14 8 168 513.205
cp2k-h2o512-1X56X2      1 56 2 161 534.206
cp2k-h2o512-1X9X12      1 9 12 159 542.490
cp2k-h2o512-1X56X1      1 56 1 156 553.762
cp2k-h2o512-1X7X8       1 7 8 141 609.972
cp2k-h2o512-1X4X14      1 4 14 139 621.007
cp2k-h2o512-1X7X16      1 7 16 130 664.214
cp2k-h2o512-1X4X28      1 4 28 120 717.503

mizuchi · 发表于 Post on 2020-9-9 02:29:19

Just run plan.sh from tools/plan_mpi_omp directory to get the optimal ranks/threads ratio.

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[CP2K] 8173M跑CP2K-benchmark速度

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