ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
72 | GROMACS.mpi | gromacs/2021.4 | gofb | avx512 | 6n4o | 2.19e+01 | Xeon Gold 6248 | 64.9 | 10.0 | 0.0 | 80 | 1 | 2 | 0 | No | Siku |
44 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx512 | 6n4o | 1.71e+01 | Xeon Gold 6248 | 26.6 | 102.55 | 0.0 | 640 | 1 | 18 | 0 | No | Siku |
108 | PMEMD.mpi | amber/20.9-20.15 | gomkl | avx2 | 6n4o | 1.17e+01 | EPYC 7532 | 24.3 | 119.53 | 0.0 | 512 | 1 | 8 | 0 | Yes | Narval |
5 | NAMD2.cuda | namd-multicore/2.14 | iimklc | avx512 | 6n4o | 9.90e+00 | Xeon Gold 6148 | 53.5 | 0.0 | 0.83 | 1 | 30 | 1 | 3V100-PCIE | No | Siku |
133 | NAMD2.cuda.ucx | namd-ucx-smp/2.14 | iccifortcuda | avx2 | 6n4o | 8.77e+00 | EPYC 7413 | 100.0 | 0.0 | 0.312 | 1 | 12 | 1 | 1A100-SXM4 | Yes | Narval |
134 | NAMD2.cuda | namd-multicore/2.14 | iccifortcuda | avx2 | 6n4o | 8.67e+00 | EPYC 7413 | 100.0 | 0.0 | 0.316 | 1 | 12 | 1 | 1A100-SXM4 | Yes | Narval |
123 | NAMD2.cuda | namd-multicore/2.14 | iimklc | avx2 | 6n4o | 8.55e+00 | Xeon Silver 4216 | 47.5 | 0.0 | 1.282 | 1 | 32 | 1 | 4V100-SXM2 | Yes | Cedar |
13 | PMEMD.mpi | amber/20.9-20.15 | gomkl | avx512 | 6n4o | 7.24e+00 | Xeon Gold 6248 | 45.5 | 60.53 | 0.0 | 160 | 1 | 3 | 0 | No | Siku |
119 | NAMD2.cuda.ofi | namd-ofi-smp/2.14 | iimklc | avx2 | 6n4o | 6.33e+00 | Xeon E5-2650 | 46.8 | 0.0 | 1.731 | 4 | 6 | 1 | 4P100-PCIE | No | Cedar |
1 | NAMD2.omp | namd-multicore/2.14 | iimkl | avx512 | 6n4o | 2.71e+00 | Xeon Gold 6248 | 63.5 | 40.42 | 0.0 | 1 | 40 | 1 | 0 | No | Siku |