ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
71 | GROMACS.mpi | gromacs/2021.4 | gofb | avx2 | 6n4o | 1.90e+01 | EPYC 7532 | 60.2 | 9.25 | 0.0 | 64 | 1 | 1 | 0 | Yes | Narval |
81 | GROMACS.cuda | gromacs/2021.4 | gofbc | avx2 | 6n4o | 1.87e+01 | EPYC 7413 | 22.8 | 0.0 | 0.146 | 1 | 4 | 1 | 1A100-SXM4 | Yes | Narval |
50 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 1.85e+01 | Xeon Silver 4216 | 100.0 | 0.0 | 0.148 | 1 | 1 | 1 | 1V100-SXM2 | Yes | Cedar |
54 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 1.85e+01 | Xeon E5-2650 | 52.5 | 0.0 | 0.593 | 1 | 4 | 1 | 4P100-PCIE | No | Cedar |
38 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 1.79e+01 | Xeon Gold 6248 | 62.9 | 0.0 | 0.307 | 1 | 2 | 1 | 2RTX6000 | No | Siku |
107 | PMEMD.cuda.MPI | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 1.73e+01 | Xeon E5-2650 | 58.0 | 0.0 | 0.316 | 2 | 1 | 1 | 2P100-PCIE | No | Cedar |
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 |
84 | GROMACS.cuda | gromacs/2021.4 | gofbc | avx2 | 6n4o | 1.71e+01 | EPYC 7413 | 10.4 | 0.0 | 0.321 | 2 | 12 | 1 | 2A100-SXM4 | Yes | Narval |
177 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 1.61e+01 | Xeon Gold 6238 | 53.3 | 59.71 | 0.0 | 352 | 1 | 8 | 0 | No | Graham |
85 | GROMACS.cuda | gromacs/2021.4 | gofbc | avx2 | 6n4o | 1.59e+01 | EPYC 7413 | 19.4 | 0.0 | 0.172 | 2 | 6 | 1 | 1A100-SXM4 | Yes | Narval |