ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |
100 | GROMACS.cuda | gromacs/2021.4 | gofbc | avx2 | 6n4o | 7.85e+01 | EPYC 7413 | 91.7 | 0.0 | 0.035 | 1 | 8 | 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 |
206 | GROMACS.cuda | gromacs/2023.2 | gofbfc | avx2 | 6n4o | 7.59e+01 | EPYC 7413 | 21.5 | 0.0 | 0.144 | 1 | 48 | 1 | 4A100-SXM4 | Yes | Narval |
97 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 7.55e+01 | Xeon Gold 6148 | 27.1 | 23.23 | 0.0 | 640 | 1 | 16 | 0 | No | Niagara |
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 |
239 | NAMD3.cuda | binary_pack/3.0b3 | - | - | 6n4o | 7.23e+01 | EPYC 7413 | 57.3 | 0.0 | 0.114 | 1 | 3 | 1 | 3A100-SXM4 | Yes | Narval |
25 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 7.14e+01 | EPYC 7413 | 53.1 | 0.0 | 0.153 | 1 | 4 | 1 | 4A100-SXM4 | Yes | Narval |
45 | PMEMD.cuda | amber/20.12-20.15 | gofbc | avx2 | 6n4o | 6.90e+01 | EPYC 7413 | 100.0 | 0.0 | 0.04 | 1 | 1 | 1 | 1A100-SXM4 | Yes | Narval |
147 | PMEMD.cuda.MPI | amber/20.12-20.15 | gofbc | avx2 | 6n4o | 6.90e+01 | EPYC 7413 | 100.0 | 0.0 | 0.04 | 1 | 1 | 1 | 1A100-SXM4 | Yes | Narval |