ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
242 | GROMACS.cuda.mpi | gromacs/2024.1 | gofbfc | avx512 | 6n4o | 1.49e+02 | Xeon Gold 5418Y | 50.0 | 0.0 | 0.037 | 2 | 12 | 1 | 2H100 NVL | Yes | Argo |
69 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 1.04e+02 | Xeon Gold 6248 | 18.1 | 33.72 | 0.0 | 1280 | 1 | 32 | 0 | No | Siku |
204 | GROMACS.cuda | gromacs/2023.2 | gofbfc | avx2 | 6n4o | 1.01e+02 | EPYC 7413 | 57.1 | 0.0 | 0.054 | 1 | 24 | 1 | 2A100-SXM4 | Yes | Narval |
47 | PMEMD.cuda.MPI | amber/20.12-20.15 | gofbc | avx2 | 6n4o | 9.97e+01 | EPYC 7413 | 36.2 | 0.0 | 0.11 | 4 | 1 | 1 | 4A100-SXM4 | Yes | Narval |
203 | GROMACS.cuda.mpi | gromacs/2023.2 | gofbfc | avx2 | 6n4o | 9.84e+01 | EPYC 7413 | 55.7 | 0.0 | 0.056 | 2 | 12 | 1 | 2A100-SXM4 | Yes | Narval |
246 | NAMD3.cuda | binary_pack/3.0 | - | - | 6n4o | 9.16e+01 | Xeon Gold 5418Y | 72.7 | 0.0 | 0.06 | 1 | 2 | 1 | 2H100 NVL | Yes | Argo |
184 | GROMACS.cuda | gromacs/2022.3 | gofbc | avx2 | 6n4o | 8.56e+01 | EPYC 7413 | 100.0 | 0.0 | 0.032 | 1 | 12 | 1 | 1A100-SXM4 | Yes | Narval |
101 | GROMACS.cuda | gromacs/2021.4 | gofbc | avx2 | 6n4o | 8.56e+01 | EPYC 7413 | 100.0 | 0.0 | 0.032 | 1 | 12 | 1 | 1A100-SXM4 | Yes | Narval |
240 | NAMD3.cuda | binary_pack/3.0b3 | - | - | 6n4o | 7.70e+01 | EPYC 7413 | 45.7 | 0.0 | 0.142 | 1 | 4 | 1 | 4A100-SXM4 | Yes | Narval |
83 | GROMACS.mpi | gromacs/2021.4 | gofb | avx2 | 6n4o | 7.49e+01 | EPYC 7532 | 29.7 | 18.72 | 0.0 | 512 | 1 | 8 | 0 | Yes | Narval |