Performance benchmarks
Performance benchmarks run nightly on three machines, after their tests, whenever the branch they test has changed. Every benchmark is measured in atom-steps per second and compared with a reference: the result of its first run, until a lasting change of the code, the compilers, or the machine is acknowledged with a new one. Of the copies the GPU machine runs side by side on its four GPUs, the best one counts. A category is the geometric mean of the percentages of its benchmarks, on whichever machines run them; a machine without a new run in a night keeps its last results, drawn faded.
all
99.9%
GPU
99.9%
KK/CUDA
100.1%
KK/OpenMP
99.3%
CPU/MPI
100.2%
CPU only
100.1%
INTEL
100.0%
Percent of the references, last 25 nights (UTC days), oldest on the left. The stacked bars are all categories together; the strips below them show each category within ±1.0% of its references, up for faster, and those of the single benchmarks in the tables within ±10%. Hover a bar for its numbers.
Machines
| Machine | Latest run (UTC) | Branch @ commit | Benchmarks | Failed | Build | Hardware |
|---|---|---|---|---|---|---|
| gpu | 2026-10-31 08:11 | develop @ 7dbed49448 | 114 | 0 | Compiler: GNU C++ 14.3.0 with OpenMP 4.5 MPI v3.1: Open MPI v5.0.10, package: Debian OpenMPI, ident: 5.0.10, repo rev: v5.0.10, Feb 23, 2026 | Intel(R) Xeon(R) CPU E5-2620 v4 @ 2.10GHz 4 Tesla V100-SXM2-16GB |
| cpu | 2026-10-31 08:16 | develop @ 7dbed49448 | 83 | 0 | Compiler: GNU C++ 16.2.1 20260819 (Red Hat 16.2.1-2) with OpenMP 5.2 MPI v4.1: MPICH Version: 4.2.2 | AMD Ryzen Threadripper PRO 7985WX 64-Cores |
| intel | 2026-10-31 06:19 | develop @ 7dbed49448 | 53 | 0 | Compiler: Intel LLVM C++ 202602.0 / Intel(R) oneAPI DPC++/C++ Compiler 2026.2.0 (2026.2.0.20261001) with OpenMP 5.1 MPI v4.1: Intel(R) MPI Library 2021.19.0 for Linux* OS Compiler: GNU C++ 14.3.1 20251022 (Red Hat 14.3.1-4) with OpenMP 4.5 MPI v4.0: MPICH Version: 4.1.2 | Intel(R) Xeon(R) Gold 6248 CPU @ 2.50GHz |
GPU package · 99.9%
GPU package through CUDA and OpenCL, in all precisions.
| Benchmark | Machine | Layout | Atoms | Matom-step/s | Reference | % of ref. | vs. previous | Last nights |
|---|---|---|---|---|---|---|---|---|
chain-large-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 8192000 | 50.99 | 53.21 | 95.8% | -4.6% | |
eam-large-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 8192000 | 132.2 | 137.1 | 96.4% | -3.4% | |
rhodo-large-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 1024000 | 12.35 | 12.6 | 98.0% | +0.6% | |
lj-large-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 8192000 | 142.2 | 144.5 | 98.4% | -0.7% | |
rhodo-large-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 1024000 | 12.41 | 12.58 | 98.7% | -0.0% | |
rhodo-small-double-gpu-opencl | gpu | 8x1, 1 GPU | 128000 | 5.311 | 5.354 | 99.2% | -0.5% | |
eam-large-mixed-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 8192000 | 106.7 | 107.4 | 99.4% | -0.3% | |
tip4p-large-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 972000 | 8.014 | 8.062 | 99.4% | -0.1% | |
rhodo-small-double-gpu-cuda | gpu | 1x8, 1 GPU | 128000 | 1.523 | 1.532 | 99.4% | +0.1% | |
rhodo-small-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 128000 | 11.28 | 11.33 | 99.6% | -0.1% | |
eam-small-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 1024000 | 113.4 | 113.8 | 99.6% | -0.2% | |
spce-large-mixed-gpu-cuda | gpu | 1x8, 1 GPU | 972000 | 3.018 | 3.03 | 99.6% | -0.3% | |
rhodo-small-mixed-gpu-cuda | gpu | 1x8, 1 GPU | 128000 | 1.531 | 1.537 | 99.6% | +0.2% | |
tip4p-large-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 972000 | 7.684 | 7.714 | 99.6% | -0.2% | |
rhodo-large-double-gpu-cuda | gpu | 1x8, 1 GPU | 1024000 | 1.367 | 1.372 | 99.6% | -0.9% | |
rhodo-large-double-gpu-opencl | gpu | 8x1, 1 GPU | 1024000 | 5.873 | 5.894 | 99.6% | -0.2% | |
lj-large-mixed-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 8192000 | 150.6 | 151.1 | 99.7% | -0.1% | |
rhodo-large-mixed-gpu-cuda | gpu | 1x8, 1 GPU | 1024000 | 1.379 | 1.383 | 99.7% | +0.2% | |
eam-large-double-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 8192000 | 90.91 | 91.17 | 99.7% | +0.1% | |
lj-large-mixed-gpu-opencl | gpu | 8x1, 1 GPU | 8192000 | 88.31 | 88.54 | 99.7% | -0.0% | |
chain-small-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 1024000 | 58.96 | 59.11 | 99.8% | -0.4% | |
lj-small-mixed-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 1024000 | 141.9 | 142.2 | 99.8% | -0.4% | |
eam-small-mixed-gpu-opencl | gpu | 8x1, 1 GPU | 1024000 | 54.74 | 54.86 | 99.8% | +0.1% | |
tersoff-small-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 1024000 | 145.6 | 145.9 | 99.8% | -0.5% | |
rhodo-small-mixed-gpu-opencl | gpu | 8x1, 1 GPU | 128000 | 6.159 | 6.172 | 99.8% | +0.3% | |
spce-small-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 121500 | 11.42 | 11.44 | 99.8% | -0.6% | |
tip4p-small-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 121500 | 7.158 | 7.173 | 99.8% | -0.3% | |
eam-small-double-gpu-cuda | gpu | 1x8, 1 GPU | 1024000 | 32.76 | 32.83 | 99.8% | -0.1% | |
eam-large-double-gpu-cuda | gpu | 1x8, 1 GPU | 8192000 | 35.24 | 35.31 | 99.8% | -0.4% | |
eam-small-double-gpu-opencl | gpu | 8x1, 1 GPU | 1024000 | 45.47 | 45.56 | 99.8% | -0.0% | |
tip4p-large-mixed-gpu-opencl | gpu | 8x1, 1 GPU | 972000 | 3.785 | 3.792 | 99.8% | -1.9% | |
eam-large-mixed-gpu-opencl | gpu | 8x1, 1 GPU | 8192000 | 67.63 | 67.74 | 99.8% | +0.1% | |
eam-large-mixed-gpu-cuda | gpu | 1x8, 1 GPU | 8192000 | 41.68 | 41.72 | 99.9% | -0.0% | |
lj-small-mixed-gpu-opencl | gpu | 8x1, 1 GPU | 1024000 | 85.48 | 85.54 | 99.9% | +0.1% | |
eam-small-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 1024000 | 95.44 | 95.49 | 99.9% | -0.1% | |
lj-small-double-gpu-cuda | gpu | 1x8, 1 GPU | 1024000 | 51.78 | 51.81 | 99.9% | -0.1% | |
eam-large-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 8192000 | 113 | 113.1 | 100.0% | -0.2% | |
spce-small-mixed-gpu-cuda | gpu | 1x8, 1 GPU | 121500 | 3.811 | 3.812 | 100.0% | -0.7% | |
tersoff-large-mixed-gpu-cuda | gpu | 1x8, 1 GPU | 2048000 | 47.87 | 47.87 | 100.0% | +0.0% | |
lj-large-double-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 8192000 | 128.4 | 128.4 | 100.0% | -0.2% | |
tersoff-small-mixed-gpu-cuda | gpu | 1x8, 1 GPU | 1024000 | 46.3 | 46.29 | 100.0% | -0.2% | |
eam-large-double-gpu-opencl | gpu | 8x1, 1 GPU | 8192000 | 48.79 | 48.74 | 100.1% | +0.4% | |
rhodo-small-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 128000 | 10.99 | 10.98 | 100.1% | -0.5% | |
eam-small-mixed-gpu-cuda | gpu | 1x8, 1 GPU | 1024000 | 38.01 | 37.97 | 100.1% | -0.1% | |
spce-small-double-gpu-cuda | gpu | 1x8, 1 GPU | 121500 | 3.741 | 3.736 | 100.1% | -0.1% | |
tersoff-large-double-gpu-cuda | gpu | 1x8, 1 GPU | 2048000 | 40.73 | 40.67 | 100.1% | -0.2% | |
lj-large-double-gpu-opencl | gpu | 8x1, 1 GPU | 8192000 | 71.92 | 71.82 | 100.1% | +0.4% | |
rhodo-large-double-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 1024000 | 4.822 | 4.815 | 100.1% | -0.9% | |
lj-large-mixed-gpu-cuda | gpu | 1x8, 1 GPU | 8192000 | 66 | 65.9 | 100.1% | -0.1% | |
rhodo-large-mixed-gpu-opencl | gpu | 8x1, 1 GPU | 1024000 | 5.967 | 5.958 | 100.2% | +0.7% | |
tersoff-small-double-gpu-cuda | gpu | 1x8, 1 GPU | 1024000 | 39.24 | 39.17 | 100.2% | +0.1% | |
lj-large-double-gpu-cuda | gpu | 1x8, 1 GPU | 8192000 | 56.35 | 56.24 | 100.2% | -0.1% | |
lj-small-double-gpu-opencl | gpu | 8x1, 1 GPU | 1024000 | 75.99 | 75.82 | 100.2% | -0.2% | |
lj-small-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 1024000 | 151.6 | 151.3 | 100.2% | -0.1% | |
tersoff-small-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 1024000 | 133.8 | 133.5 | 100.3% | -0.4% | |
lj-small-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 1024000 | 168.8 | 168.3 | 100.3% | -0.2% | |
lj-large-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 8192000 | 176 | 175.5 | 100.3% | +0.0% | |
rhodo-large-mixed-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 1024000 | 4.779 | 4.765 | 100.3% | -0.5% | |
spce-large-double-gpu-cuda | gpu | 1x8, 1 GPU | 972000 | 2.998 | 2.989 | 100.3% | -0.1% | |
tip4p-small-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 121500 | 8.132 | 8.106 | 100.3% | -0.2% | |
spce-small-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 121500 | 12.24 | 12.19 | 100.4% | -0.3% | |
tip4p-small-mixed-gpu-opencl | gpu | 8x1, 1 GPU | 121500 | 4.58 | 4.563 | 100.4% | -0.2% | |
lj-small-double-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 1024000 | 118.5 | 118 | 100.5% | -0.4% | |
eam-small-mixed-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 1024000 | 97.73 | 97.19 | 100.6% | -0.7% | |
spce-large-double-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 972000 | 13.39 | 13.31 | 100.6% | +0.1% | |
spce-large-mixed-gpu-opencl-16x1 | gpu | 16x1, 4 GPUs | 972000 | 14.17 | 14.07 | 100.7% | +0.2% | |
tip4p-large-double-gpu-opencl | gpu | 8x1, 1 GPU | 972000 | 3.782 | 3.755 | 100.7% | +0.1% | |
lj-small-mixed-gpu-cuda | gpu | 1x8, 1 GPU | 1024000 | 59.89 | 59.22 | 101.1% | -0.2% | |
rhodo-small-double-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 128000 | 4.923 | 4.822 | 102.1% | -0.1% | |
rhodo-small-mixed-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 128000 | 4.932 | 4.829 | 102.1% | +0.3% | |
tip4p-small-double-gpu-opencl | gpu | 8x1, 1 GPU | 121500 | 4.094 | 4.005 | 102.2% | -0.8% | |
eam-small-double-gpu-opencl-4x4 | gpu | 4x4, 4 GPUs | 1024000 | 83.54 | 81.56 | 102.4% | -0.3% |
KOKKOS/CUDA · 100.1%
KOKKOS package on its CUDA backend, one GPU per run.
| Benchmark | Machine | Layout | Atoms | Matom-step/s | Reference | % of ref. | vs. previous | Last nights |
|---|---|---|---|---|---|---|---|---|
chain-large-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 8192000 | 180.3 | 181.3 | 99.5% | +0.3% | |
eam-large-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 8192000 | 93.08 | 93.51 | 99.5% | -0.3% | |
eam-small-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 142 | 142.4 | 99.7% | +0.2% | |
chain-small-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 212.5 | 212.9 | 99.8% | +0.3% | |
tersoff-large-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 8192000 | 383 | 383.6 | 99.8% | -0.1% | |
tersoff-large-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 8192000 | 265.2 | 265.7 | 99.8% | -0.0% | |
eam-large-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 8192000 | 153.2 | 153.5 | 99.9% | -0.2% | |
snap-small-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 128000 | 1.692 | 1.694 | 99.9% | -0.1% | |
lj-large-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 8192000 | 151.3 | 151.5 | 99.9% | -0.1% | |
tersoff-small-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 291.9 | 292.2 | 99.9% | -0.1% | |
chain-small-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 201.4 | 201.5 | 99.9% | +0.1% | |
spce-large-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 972000 | 12.87 | 12.88 | 99.9% | -0.2% | |
rhodo-large-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 7.799 | 7.805 | 99.9% | +0.0% | |
snap-small-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 128000 | 3.677 | 3.679 | 99.9% | -0.0% | |
lj-large-double-kokkos-cuda-full | gpu | 1x4, 1 GPU | 8192000 | 275.9 | 276.1 | 100.0% | +0.2% | |
reaxff-small-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 32480 | 1.983 | 1.983 | 100.0% | -0.5% | |
lj-small-mixed-kokkos-cuda-full | gpu | 1x4, 1 GPU | 1024000 | 437 | 437 | 100.0% | -0.0% | |
reaxff-large-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 259840 | 3.063 | 3.062 | 100.0% | +0.0% | |
lj-large-mixed-kokkos-cuda-full | gpu | 1x4, 1 GPU | 8192000 | 445.6 | 445.4 | 100.0% | -0.0% | |
tersoff-small-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 412.7 | 412.5 | 100.0% | +0.0% | |
lj-small-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 306.5 | 306.3 | 100.1% | -0.0% | |
tip4p-large-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 972000 | 7.704 | 7.698 | 100.1% | +0.1% | |
snap-large-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 3.646 | 3.643 | 100.1% | -0.0% | |
eam-large-mixed-kokkos-cuda-full | gpu | 1x4, 1 GPU | 8192000 | 177.1 | 176.9 | 100.1% | +0.0% | |
lj-small-double-kokkos-cuda-full | gpu | 1x4, 1 GPU | 1024000 | 349.6 | 349.2 | 100.1% | +0.0% | |
eam-large-double-kokkos-cuda-full | gpu | 1x4, 1 GPU | 8192000 | 118.6 | 118.5 | 100.1% | -0.1% | |
lj-small-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 287.9 | 287.7 | 100.1% | +0.0% | |
tip4p-large-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 972000 | 8.137 | 8.129 | 100.1% | +0.0% | |
rhodo-large-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 8.738 | 8.728 | 100.1% | +0.1% | |
snap-large-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 1.683 | 1.681 | 100.1% | +0.1% | |
eam-small-double-kokkos-cuda-full | gpu | 1x4, 1 GPU | 1024000 | 134.6 | 134.5 | 100.1% | +0.0% | |
spce-large-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 972000 | 13.67 | 13.66 | 100.1% | +0.1% | |
chain-large-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 8192000 | 190.2 | 190 | 100.1% | +0.6% | |
eam-small-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 1024000 | 113 | 112.7 | 100.2% | +0.1% | |
eam-small-mixed-kokkos-cuda-full | gpu | 1x4, 1 GPU | 1024000 | 177.6 | 177.1 | 100.3% | +0.0% | |
lj-large-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 8192000 | 235.3 | 234.4 | 100.4% | +0.2% | |
rhodo-small-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 128000 | 9.145 | 9.101 | 100.5% | +0.0% | |
tip4p-small-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 121500 | 6.69 | 6.641 | 100.7% | -0.0% | |
spce-small-mixed-kokkos-cuda-half | gpu | 1x4, 1 GPU | 121500 | 11.14 | 11.05 | 100.8% | +0.3% | |
tip4p-small-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 121500 | 7.42 | 7.359 | 100.8% | +0.0% | |
rhodo-small-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 128000 | 8.245 | 8.173 | 100.9% | +0.3% | |
spce-small-double-kokkos-cuda-half | gpu | 1x4, 1 GPU | 121500 | 11.03 | 10.91 | 101.1% | +0.2% |
KOKKOS/OpenMP · 99.3%
KOKKOS package on its OpenMP backend.
| Benchmark | Machine | Layout | Atoms | Matom-step/s | Reference | % of ref. | vs. previous | Last nights |
|---|---|---|---|---|---|---|---|---|
eam-large-double-kokkos-omp-2x4 | cpu | 2x4 | 8192000 | 4.948 | 5.126 | 96.5% | -2.3% | |
lj-small-double-kokkos-omp-1x8 | cpu | 1x8 | 1024000 | 7.377 | 7.629 | 96.7% | -1.0% | |
eam-large-double-kokkos-omp-4x2 | cpu | 4x2 | 8192000 | 5.185 | 5.361 | 96.7% | -2.2% | |
eam-large-double-kokkos-omp-1x8 | cpu | 1x8 | 8192000 | 4.379 | 4.523 | 96.8% | -2.0% | |
eam-small-double-kokkos-omp-4x2 | cpu | 4x2 | 1024000 | 5.306 | 5.468 | 97.0% | -1.9% | |
eam-small-double-kokkos-omp-1x8 | cpu | 1x8 | 1024000 | 4.159 | 4.274 | 97.3% | -1.6% | |
eam-small-double-kokkos-omp-2x4 | cpu | 2x4 | 1024000 | 4.917 | 5.038 | 97.6% | -1.8% | |
rhodo-large-double-kokkos-omp-8x1 | cpu | 8x1 | 1024000 | 0.9298 | 0.942 | 98.7% | -1.4% | |
lj-small-double-kokkos-omp-2x4 | cpu | 2x4 | 1024000 | 9.398 | 9.521 | 98.7% | -0.6% | |
lj-large-double-kokkos-omp-1x8 | cpu | 1x8 | 8192000 | 8.62 | 8.729 | 98.8% | -0.2% | |
eam-small-double-kokkos-omp-8x1 | cpu | 8x1 | 1024000 | 5.461 | 5.509 | 99.1% | -0.8% | |
lj-large-double-kokkos-omp-2x4 | cpu | 2x4 | 8192000 | 10.58 | 10.63 | 99.5% | -0.2% | |
rhodo-small-double-kokkos-omp-2x4 | cpu | 2x4 | 128000 | 0.8521 | 0.8551 | 99.6% | -0.6% | |
lj-large-double-kokkos-omp-8x1 | cpu | 8x1 | 8192000 | 12.52 | 12.55 | 99.8% | +1.8% | |
rhodo-small-double-kokkos-omp-8x1 | cpu | 8x1 | 128000 | 0.9079 | 0.9099 | 99.8% | -0.3% | |
rhodo-small-double-kokkos-omp-1x8 | cpu | 1x8 | 128000 | 0.7687 | 0.7698 | 99.9% | -0.3% | |
lj-small-double-kokkos-omp-4x2 | cpu | 4x2 | 1024000 | 11.41 | 11.42 | 99.9% | +0.1% | |
rhodo-large-double-kokkos-omp-4x2 | cpu | 4x2 | 1024000 | 0.9094 | 0.9103 | 99.9% | -0.4% | |
rhodo-kokkos-4x10 | intel | 4x10 | 256000 | 2.73 | 2.732 | 99.9% | +0.0% | |
lj-large-double-kokkos-omp-4x2 | cpu | 4x2 | 8192000 | 11.61 | 11.61 | 100.0% | -0.1% | |
tip4p-small-double-kokkos-omp-8x1 | cpu | 8x1 | 121500 | 0.5662 | 0.5659 | 100.1% | -0.7% | |
rhodo-large-double-kokkos-omp-1x8 | cpu | 1x8 | 1024000 | 0.8243 | 0.823 | 100.2% | +0.2% | |
eam-large-double-kokkos-omp-8x1 | cpu | 8x1 | 8192000 | 5.681 | 5.645 | 100.6% | -0.1% | |
rhodo-small-double-kokkos-omp-4x2 | cpu | 4x2 | 128000 | 0.8792 | 0.8644 | 101.7% | -0.4% | |
rhodo-large-double-kokkos-omp-2x4 | cpu | 2x4 | 1024000 | 0.9072 | 0.8865 | 102.3% | +2.4% | |
lj-small-double-kokkos-omp-8x1 | cpu | 8x1 | 1024000 | 11.72 | 11.23 | 104.4% | +1.1% |
CPU/MPI · 100.2%
plain, OPENMP, and OPT styles of the standard benchmark decks with MPI.
| Benchmark | Machine | Layout | Atoms | Matom-step/s | Reference | % of ref. | vs. previous | Last nights |
|---|---|---|---|---|---|---|---|---|
lj-gcc-1socket | intel | 20x1 | 256000 | 29.16 | 29.41 | 99.2% | -0.4% | |
rhodo-gcc-1socket | intel | 20x1 | 256000 | 1.951 | 1.966 | 99.2% | -0.9% | |
lj-large-double-cpu-8x1 | cpu | 8x1 | 8192000 | 12.22 | 12.29 | 99.4% | -0.3% | |
rhodo-gcc-1node | intel | 10x1 | 256000 | 1.089 | 1.094 | 99.5% | -0.4% | |
rhodo-large-double-omp-8x1 | cpu | 8x1 | 1024000 | 1.201 | 1.206 | 99.6% | +0.2% | |
lj-small-double-cpu-8x1 | cpu | 8x1 | 1024000 | 11.77 | 11.81 | 99.7% | -0.9% | |
tip4p-small-double-opt-8x1 | cpu | 8x1 | 121500 | 0.9944 | 0.9967 | 99.8% | -0.2% | |
lj-gcc-1node | intel | 10x1 | 256000 | 14.28 | 14.29 | 99.9% | +0.1% | |
lj-gcc-2socket | intel | 40x1 | 256000 | 59.55 | 59.6 | 99.9% | -0.2% | |
lj-gcc-4m | intel | 40x1 | 4000000 | 51.37 | 51.41 | 99.9% | +0.0% | |
rhodo-omp-8x5 | intel | 8x5 | 256000 | 3.697 | 3.699 | 99.9% | +0.5% | |
eam-gcc-1node | intel | 10x1 | 256000 | 5.736 | 5.734 | 100.0% | -0.3% | |
rhodo-omp-20x2 | intel | 20x2 | 256000 | 4.061 | 4.059 | 100.0% | +0.4% | |
lj-large-double-omp-8x1 | cpu | 8x1 | 8192000 | 14.37 | 14.36 | 100.1% | +0.1% | |
rhodo-large-double-cpu-8x1 | cpu | 8x1 | 1024000 | 1.082 | 1.081 | 100.1% | -0.2% | |
spce-kspace-gcc | intel | 40x1 | 288000 | 0.5971 | 0.5964 | 100.1% | +0.0% | |
tip4p-small-double-cpu-8x1 | cpu | 8x1 | 121500 | 0.9323 | 0.9307 | 100.2% | +0.2% | |
rhodo-small-double-omp-8x1 | cpu | 8x1 | 128000 | 1.152 | 1.15 | 100.2% | -0.2% | |
rhodo-omp-40x1 | intel | 40x1 | 256000 | 4.278 | 4.268 | 100.2% | +0.4% | |
eam-large-double-omp-8x1 | cpu | 8x1 | 8192000 | 6.165 | 6.146 | 100.3% | +0.1% | |
eam-gcc-1socket | intel | 20x1 | 256000 | 11.27 | 11.23 | 100.3% | -0.3% | |
eam-large-double-cpu-8x1 | cpu | 8x1 | 8192000 | 5.907 | 5.886 | 100.4% | +0.2% | |
eam-small-double-cpu-8x1 | cpu | 8x1 | 1024000 | 5.619 | 5.598 | 100.4% | +0.1% | |
eam-gcc-2socket | intel | 40x1 | 256000 | 22.8 | 22.71 | 100.4% | +0.2% | |
eam-gcc-4m | intel | 40x1 | 4000000 | 20.68 | 20.57 | 100.5% | -0.1% | |
rhodo-small-double-cpu-8x1 | cpu | 8x1 | 128000 | 1.043 | 1.037 | 100.6% | +0.0% | |
eam-small-double-omp-8x1 | cpu | 8x1 | 1024000 | 5.913 | 5.877 | 100.6% | +0.3% | |
rhodo-gcc-2socket | intel | 40x1 | 256000 | 3.903 | 3.879 | 100.6% | -0.6% | |
tip4p-small-double-omp-8x1 | cpu | 8x1 | 121500 | 1.114 | 1.105 | 100.8% | -0.1% | |
lj-small-double-omp-8x1 | cpu | 8x1 | 1024000 | 15.03 | 14.84 | 101.3% | +0.2% | |
rhodo-omp-4x10 | intel | 4x10 | 256000 | 3.186 | 3.091 | 103.1% | -1.7% |
CPU only · 100.1%
the benchmark decks of styles only the CPU machines run, any package.
| Benchmark | Machine | Layout | Atoms | Matom-step/s | Reference | % of ref. | vs. previous | Last nights |
|---|---|---|---|---|---|---|---|---|
meam_spline-double-cpu-8x1 | cpu | 8x1 | 32000 | 0.8829 | 0.9314 | 94.8% | -5.2% | |
extep-double-cpu-8x1 | cpu | 8x1 | 32400 | 3.681 | 3.729 | 98.7% | -1.1% | |
ljlong-ewalddisp-double-cpu-8x1 | cpu | 8x1 | 18000 | 0.2143 | 0.217 | 98.8% | -1.1% | |
airebo-double-cpu-8x1 | cpu | 8x1 | 65280 | 0.4347 | 0.4395 | 98.9% | -0.1% | |
polymorphic-double-cpu-8x1 | cpu | 8x1 | 32768 | 5.881 | 5.924 | 99.3% | +0.0% | |
gcmc-double-cpu-8x1 | cpu | 8x1 | 40484 | 5.452 | 5.486 | 99.4% | -0.1% | |
peri-double-cpu-8x1 | cpu | 8x1 | 32000 | 2.508 | 2.521 | 99.5% | -0.6% | |
ljlong-pppmdisp-double-cpu-8x1 | cpu | 8x1 | 36000 | 1.231 | 1.236 | 99.6% | -0.1% | |
widom-double-cpu-8x1 | cpu | 8x1 | 54000 | 6.689 | 6.715 | 99.6% | -0.3% | |
meam_spline-double-omp-8x1 | cpu | 8x1 | 32000 | 0.9927 | 0.9963 | 99.6% | -0.4% | |
coul_streitz-double-cpu-8x1 | cpu | 8x1 | 34560 | 0.03668 | 0.03678 | 99.7% | -0.0% | |
rigid-double-omp-2x4 | cpu | 2x4 | 44800 | 33.59 | 33.68 | 99.7% | +0.5% | |
body_polyhedron-double-cpu-8x1 | cpu | 8x1 | 8192 | 0.3766 | 0.3774 | 99.8% | -0.4% | |
msm-double-omp-8x1 | cpu | 8x1 | 36000 | 0.1624 | 0.1628 | 99.8% | -0.7% | |
comb-double-cpu-8x1 | cpu | 8x1 | 32400 | 0.0694 | 0.06954 | 99.8% | +0.1% | |
ilp-double-cpu-8x1 | cpu | 8x1 | 21760 | 0.1312 | 0.1314 | 99.8% | +0.7% | |
body_polygon-double-cpu-8x1 | cpu | 8x1 | 12800 | 6.333 | 6.344 | 99.8% | -0.9% | |
pppmdipole-double-cpu-8x1 | cpu | 8x1 | 32768 | 0.1604 | 0.1607 | 99.8% | -0.3% | |
rhodo-ilves-double-cpu-8x1 | cpu | 8x1 | 128000 | 1.017 | 1.018 | 99.9% | +0.2% | |
lcbop-double-cpu-8x1 | cpu | 8x1 | 32768 | 0.9879 | 0.9885 | 99.9% | +0.0% | |
airebo-double-omp-8x1 | cpu | 8x1 | 65280 | 0.435 | 0.4352 | 100.0% | -0.0% | |
drude-double-cpu-8x1 | cpu | 8x1 | 44000 | 1.331 | 1.331 | 100.0% | -0.9% | |
rigid-double-cpu-8x1 | cpu | 8x1 | 44800 | 23.09 | 23.09 | 100.0% | +0.2% | |
bondcreate-double-cpu-8x1 | cpu | 8x1 | 32000 | 24.91 | 24.91 | 100.0% | +0.2% | |
bop-double-cpu-8x1 | cpu | 8x1 | 64000 | 1.971 | 1.97 | 100.1% | -0.1% | |
eim-double-omp-2x4 | cpu | 2x4 | 32000 | 3.279 | 3.277 | 100.1% | -0.1% | |
rigid-nvt-double-cpu-8x1 | cpu | 8x1 | 44800 | 18.37 | 18.35 | 100.1% | +0.3% | |
atomswap-double-cpu-8x1 | cpu | 8x1 | 16000 | 2.058 | 2.055 | 100.1% | +0.1% | |
rhodo-respa-double-cpu-8x1 | cpu | 8x1 | 32000 | 0.469 | 0.4683 | 100.2% | +0.9% | |
spce-respa-double-cpu-8x1 | cpu | 8x1 | 36000 | 0.3757 | 0.3751 | 100.2% | +0.3% | |
ilves-double-cpu-8x1 | cpu | 8x1 | 36000 | 9.853 | 9.83 | 100.2% | -0.5% | |
tersoff_table-double-cpu-8x1 | cpu | 8x1 | 32768 | 5.818 | 5.804 | 100.2% | -0.1% | |
ljlong-pppmdisp-double-omp-8x1 | cpu | 8x1 | 36000 | 1.276 | 1.272 | 100.3% | +0.7% | |
rattle-double-cpu-8x1 | cpu | 8x1 | 36000 | 11.23 | 11.18 | 100.5% | +0.5% | |
eim-double-cpu-8x1 | cpu | 8x1 | 32000 | 2.801 | 2.787 | 100.5% | -0.0% | |
eff-double-cpu-8x1 | cpu | 8x1 | 64000 | 0.08119 | 0.08072 | 100.6% | -0.6% | |
ilp-double-opt-8x1 | cpu | 8x1 | 21760 | 0.385 | 0.3821 | 100.8% | +1.1% | |
lubricate-double-cpu-8x1 | cpu | 8x1 | 32000 | 28.26 | 28.03 | 100.8% | +0.5% | |
kc-double-cpu-8x1 | cpu | 8x1 | 21760 | 0.1415 | 0.1403 | 100.9% | +0.0% | |
comb3-double-cpu-8x1 | cpu | 8x1 | 5456 | 0.04145 | 0.0411 | 100.9% | -0.0% | |
srd-double-cpu-8x1 | cpu | 8x1 | 58872 | 352.9 | 344.3 | 102.5% | +2.9% | |
msm-double-cpu-8x1 | cpu | 8x1 | 36000 | 0.1933 | 0.1885 | 102.6% | +0.6% | |
smd-double-cpu-8x1 | cpu | 8x1 | 19600 | 3.534 | 3.332 | 106.1% | -0.0% |
INTEL package · 100.0%
INTEL package with the Intel oneAPI compilers, mixed and double precision.
| Benchmark | Machine | Layout | Atoms | Matom-step/s | Reference | % of ref. | vs. previous | Last nights |
|---|---|---|---|---|---|---|---|---|
airebo-morse-intel-double | intel | 10x1 | 130560 | 0.9212 | 0.9488 | 97.1% | -2.3% | |
ljlong-pppmdisp-intel-mixed | intel | 10x1 | 144000 | 1.248 | 1.278 | 97.7% | -1.6% | |
ljlong-pppmdisp-intel-double | intel | 10x1 | 144000 | 1.285 | 1.315 | 97.7% | -1.7% | |
snap-intel-mixed | intel | 10x1 | 32000 | 0.09689 | 0.09885 | 98.0% | +1.6% | |
sw-intel-double | intel | 10x1 | 128000 | 15.26 | 15.53 | 98.3% | -0.3% | |
lj-intel-mixed | intel | 10x1 | 128000 | 22.3 | 22.43 | 99.4% | +0.2% | |
rhodo-2x5-intel-double | intel | 2x5 | 128000 | 1.14 | 1.146 | 99.5% | -0.5% | |
silica-intel-double | intel | 10x1 | 127776 | 1.617 | 1.624 | 99.6% | -3.3% | |
sw-intel-mixed | intel | 10x1 | 128000 | 21.51 | 21.59 | 99.6% | -0.0% | |
tersoff-intel-mixed | intel | 10x1 | 128000 | 8.209 | 8.237 | 99.7% | +0.0% | |
silica-intel-mixed | intel | 10x1 | 127776 | 2.096 | 2.103 | 99.7% | +0.3% | |
dpd-intel-double | intel | 10x1 | 128000 | 11.16 | 11.19 | 99.8% | -0.1% | |
eam-intel-double | intel | 10x1 | 128000 | 6.889 | 6.905 | 99.8% | -0.5% | |
airebo-morse-intel-mixed | intel | 10x1 | 130560 | 1.407 | 1.41 | 99.8% | +0.5% | |
rhodo-2x5-intel-mixed | intel | 2x5 | 128000 | 1.414 | 1.416 | 99.9% | +0.4% | |
spce-intel-mixed | intel | 10x1 | 144000 | 1.941 | 1.943 | 99.9% | +0.4% | |
rhodo-lrt-intel-mixed | intel | 10x1 | 128000 | 1.95 | 1.952 | 99.9% | +0.5% | |
airebo-intel-mixed | intel | 10x1 | 130560 | 1.389 | 1.39 | 99.9% | -0.9% | |
rebo-intel-mixed | intel | 10x1 | 130560 | 10.16 | 10.16 | 99.9% | -0.3% | |
gayberne-intel-double | intel | 10x1 | 131072 | 1.974 | 1.974 | 100.0% | -0.2% | |
rhodo-5x2-intel-mixed | intel | 5x2 | 128000 | 1.706 | 1.706 | 100.0% | +1.0% | |
rhodo-5x2-intel-double | intel | 5x2 | 128000 | 1.338 | 1.336 | 100.1% | -1.0% | |
tersoff-intel-double | intel | 10x1 | 128000 | 5.109 | 5.094 | 100.3% | +0.2% | |
chain-intel-double | intel | 10x1 | 128000 | 24.73 | 24.66 | 100.3% | +0.6% | |
rhodo-intel-mixed | intel | 10x1 | 128000 | 1.901 | 1.895 | 100.3% | +0.7% | |
airebo-intel-double | intel | 10x1 | 130560 | 0.9414 | 0.9372 | 100.4% | +1.0% | |
rebo-intel-double | intel | 10x1 | 130560 | 8.373 | 8.33 | 100.5% | +0.2% | |
lj-intel-double | intel | 10x1 | 128000 | 17.28 | 17.18 | 100.6% | +0.3% | |
eam-intel-mixed | intel | 10x1 | 128000 | 9.787 | 9.711 | 100.8% | +0.2% | |
dpd-intel-mixed | intel | 10x1 | 128000 | 13.49 | 13.37 | 100.9% | +0.6% | |
spce-intel-double | intel | 10x1 | 144000 | 1.423 | 1.41 | 100.9% | -4.1% | |
chain-intel-mixed | intel | 10x1 | 128000 | 22.82 | 22.5 | 101.4% | +0.4% | |
rhodo-lrt-intel-double | intel | 10x1 | 128000 | 1.469 | 1.447 | 101.5% | -1.0% | |
gayberne-intel-mixed | intel | 10x1 | 131072 | 2.864 | 2.817 | 101.7% | +3.5% | |
rhodo-intel-double | intel | 10x1 | 128000 | 1.466 | 1.44 | 101.8% | +0.6% | |
snap-intel-double | intel | 10x1 | 32000 | 0.09753 | 0.09534 | 102.3% | +2.3% |