NAMDの公式ホームページで公開されているベンチマーク(http://www.ks.uiuc.edu/Research/namd/utilities/)を実行しました。継続的にデータを取得してまいります。「s/step」、「days/ns」共に値が小さいほどパフォーマンスが高いことを示します。
stmv
1,066,628 atoms, 12A cutoff + PME every 4 steps, periodic
| specification | nodes | procs | threads | GPUs | s/step | days/ns |
[GPUあり構成/2021-03】 Machine:HPC-ProServer DPeR740 CPU:(2) Intel Xeon Gold 6248R CPU 2.40GHz 24C/48T Mem:192GB((12) 16GB) OS:CentOS 7.9 NAMD:NAMD_2.14_Linux-x86_64-multicore-CUDA GPU:(2) GeForce RTX 3090 CUDA11.2 Driver: 460.32.03 |
1 | 1 | 32 | 1 | 0.023666 | 0.273912 |
| 1 | 1 | 32 | 2 | 0.0186796 | 0.216199 | |
| 1 | 1 | 48 | 1 | 0.022158 | 0.256459 | |
| 1 | 1 | 48 | 2 | 0.0162644 | 0.188245 | |
[GPUあり構成/2019-12】 |
1 | 1 | 24 | 2 | 0.0267392 | 0.3094823 |
[GPUあり構成/2019-09] Machine:HPC-ProServer DPrT7920 CPU:(2) Intel Xeon Gold 6242 CPU 2.80GHz 16C/32T Mem:96GB((12)8GB) OS:CentOS 7.6 NAMD:NAMD_2.13_Linux-x86_64-multicore-CUDA GPU:(2) GeForce RTX 2080Ti CUDA10.1 Driver: 418.87 |
1 | 1 | 32 | 2 | 0.0228353 | 0.264298 |
[GPUあり構成/2018-12] Machine:HPC-ProServer DPeT640 CPU:(2) Intel Xeon Gold 6126 CPU 2.60GHz 12C/24T Mem:96GB((12)8GB) OS:CentOS 7.5 NAMD:NAMD_2.12_Linux-x86_64-multicore-CUDA GPU:(4) GeForce GTX 1080Ti CUDA10.0 Driver: 410.48 |
1 | 1 | 24 | 4 | 0.0307322 | 0.355696 |
[GPUなし構成/2018-11] Machine:HPC-ProServer DPeR7425 CPU:(2) AMD EPYC 7601 2.2GHz/2.7GHz 32C/64T Mem:1024GB (32) 32GB 2133 RDIMMs OS:CentOS v7.5 NAMD:NAMD_2.12_Linux-x86_64-multicore |
1 | 1 | 8 | 0 | 1.24871 | 14.4527 |
| 1 | 1 | 16 | 0 | 0.630714 | 7.29993 | |
| 1 | 1 | 32 | 0 | 0.319656 | 3.69972 | |
| 1 | 1 | 64 | 0 | 0.162602 | 1.88197 | |
[GPUあり構成/2018-10] Machine:HPC-ProServer DPeR740 CPU:(2) Intel Xeon Gold 6142 CPU 2.60GHz 16C/32T Mem:96GB((12)8GB) OS:CentOS 7.4 NAMD:NAMD_2.12_Linux-x86_64-multicore-CUDA GPU:(2) GeForce RTX 2080 CUDA10.0 Driver: 410.48 |
1 | 1 | 32 | 2 | 0.029097 | 0.336771 |
[GPUあり構成/2018-09] Machine:HPC-ProServer DPeR740 CPU:(2) Intel Xeon Gold 6126 CPU 2.60GHz 12C/24T Mem:96GB((12)8GB) OS:CentOS 7.5 NAMD:NAMD_2.12_Linux-x86_64-multicore-CUDA GPU:(2) TITAN V CUDA9.2 Driver: 396.44 |
1 | 1 | 24 | 2 | 0.0319407 | 0.369684 |
[GPUなし構成] Machine:HPC-ProServer DPeR640 CPU:(2) Intel Xeon Gold 6142 2.60GHz 16C/32T Mem:192GB((12)16GB) OS:Red Hat Enterprise Linux ComputeNode release 6.9 NAMD:NAMD_2.12_Linux-x86_64-multicore |
1 | 1 | 32 | 0 | 0.307718 | 3.56155 |
[GPUあり構成] Machine:HPC-ProServer DPeR730 CPU:(2) Intel Xeon E5-2690 v4 @ 2.60GHz 14C/28T Mem:64GB((8)8GB) OS:CentOS 7.4 NAMD:NAMD_2.12_Linux-x86_64-multicore-CUDA GPU: (2) GeForce 1080Ti CUDA 9.1 Driver:387.26 |
1 | 1 | 32 | 0 | 0.0367963 | 0.425883 |
[GPUあり構成] Machine:HPC-ProServer DPeR730 CPU:(2) Intel Xeon E5-2698v4 2.2GHz 20C/40T Mem:1024GB((16)64GB) OS:CentOS 6.9 NAMD:NAMD_2.12_Linux-x86_64-multicore-CUDA GPU:(2) Geforce 1080Ti CUDA8.0 Driver: 381.2 |
1 | 1 | 40 | 0 | 0.039712 | 0.45963 |
[GPUなし構成] Machine:HPC-ProServer DPeR730 CPU:(2) Intel Xeon E5-2698v4 2.2GHz 20C/40T Mem:1024GB((16)64GB) OS:CentOS 6.9 NAMD:NAMD_2.12_Linux-x86_64-multicore |
1 | 1 | 40 | 0 | 0.234928 | 2.71907 |