ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
73 | GROMACS.mpi | gromacs/2021.4 | gofb | avx2 | 6n4o | 2.95e+01 | EPYC 7532 | 46.8 | 11.9 | 0.0 | 128 | 1 | 2 | 0 | Yes | Narval |
51 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 2.94e+01 | Xeon Silver 4216 | 79.5 | 0.0 | 0.187 | 1 | 2 | 1 | 2V100-SXM2 | Yes | Cedar |
173 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 2.93e+01 | Xeon Gold 6238 | 33.3 | 95.75 | 0.0 | 1024 | 1 | 32 | 0 | No | Graham |
230 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx512 | 6n4o | 2.89e+01 | Xeon Gold 6148 | 100.0 | 0.0 | 0.095 | 1 | 1 | 1 | 1V100-SXM2 | No | Beluga |
218 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx2 | 6n4o | 2.66e+01 | Xeon E5-2650 | 100.0 | 0.0 | 0.103 | 1 | 1 | 1 | 1V100-SXM2 | Yes | Cedar |
235 | NAMD3.cuda | binary_pack/3.0b3 | - | - | 6n4o | 2.56e+01 | Xeon Gold 6148 | 52.1 | 0.0 | 0.214 | 1 | 2 | 1 | 2V100-PCIE | No | Siku |
65 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 2.51e+01 | Xeon Gold 6248 | 70.0 | 8.72 | 0.0 | 80 | 1 | 2 | 0 | No | Siku |
154 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx512 | 6n4o | 2.51e+01 | Xeon Gold 6248 | 59.6 | 0.0 | 0.219 | 1 | 2 | 1 | 2RTX6000 | No | Siku |
226 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx512 | 6n4o | 2.50e+01 | Xeon Gold 6148 | 100.0 | 0.0 | 0.11 | 1 | 1 | 1 | 1V100-SXM2 | No | Beluga |
35 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 2.48e+01 | Xeon Gold 5120 | 61.7 | 0.0 | 0.221 | 1 | 2 | 1 | 2V100-PCIE | No | Graham |