本帖最后由 glf 于 2020-6-20 10:33 编辑
最近购买了8273CL,跑了一下CP2K,得到一些数据。CP2K编译ELPA使用了avx512。编译version为psmp。超线程为开。有意思的是,虽然是56核心,但是并不是全核心运行速度最快。测试集为CP2K自带的H2O,run_type为energy。输出格式为H2O-XX-1X${NUM_RINK}X${OMP_NUM_THREADS}
H2O-128 Nodes R/N T/R Cases/d Seconds H2O-32-1X16X3 1 16 3 10800 8.424 H2O-32-1X25X2 1 25 2 10800 8.478 H2O-32-1X49X1 49 1 1 9600 9.076 H2O-32-1X9X6 1 9 6 9600 9.077 H2O-32-1X28X2 1 28 2 9600 9.221 H2O-32-1X14X4 1 14 4 9600 9.238 H2O-32-1X56X1 56 1 1 9600 9.788 H2O-32-1X4X14 1 4 14 9600 9.844 H2O-32-1X26X2 1 26 2 8640 10.390 H2O-32-1X7X8 1 7 8 7854 11.790 H2O-64-1X16X3 1 16 3 5082 17.394 H2O-64-1X25X2 1 25 2 5082 17.416 H2O-64-1X28X2 1 28 2 4800 18.303 H2O-64-1X49X1 1 49 1 4800 18.355 H2O-64-1X14X4 1 14 4 4800 18.901 H2O-64-1X9X6 1 9 6 4547 19.274 H2O-64-1X56X1 1 56 1 4547 19.468 H2O-64-1X26X2 1 26 2 4320 20.502 H2O-64-1X4X14 1 4 14 3927 22.156 H2O-64-1X7X8 1 7 8 3756 23.855 H2O-128-1X25X2 1 25 2 2215 39.764 H2O-128-1X16X3 1 16 3 2160 40.210 H2O-128-1X49X1 1 49 1 2160 40.786 H2O-128-1X56X1 1 56 1 1963 44.144 H2O-128-1X28X2 1 28 2 1963 44.259 H2O-128-1X9X6 1 9 6 1963 44.895 H2O-128-1X14X4 1 14 4 1920 45.215 H2O-128-1X26X2 1 26 2 1838 47.654 H2O-128-1X4X14 1 4 14 1515 57.508 H2O-128-1X7X8 1 7 8 1489 58.150 H2O-256-1X25X2 1 25 2 751 115.199 H2O-256-1X49X1 1 49 1 751 115.231 H2O-256-1X16X3 1 16 3 744 116.357 H2O-256-1X14X4 1 14 4 680 127.258 H2O-256-1X28X2 1 28 2 675 128.100 H2O-256-1X9X6 1 9 6 640 135.019 H2O-256-1X56X1 1 56 1 621 139.419 H2O-256-1X26X2 1 26 2 612 141.053 H2O-256-1X4X14 1 4 14 523 165.982 H2O-256-1X7X8 1 7 8 490 176.395 H2O-512-1X25X2 1 25 2 213 405.800 H2O-512-1X16X3 1 16 3 212 406.304 H2O-512-1X49X1 1 49 1 207 416.179 H2O-512-1X14X4 1 14 4 195 442.623 H2O-512-1X28X2 1 28 2 193 446.004 H2O-512-1X26X2 1 26 2 181 476.175 H2O-512-1X9X6 1 9 6 178 483.155 H2O-512-1X56X1 1 56 1 173 497.035 H2O-512-1X4X14 1 4 14 148 583.698 H2O-512-1X7X8 1 7 8 146 589.676
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