ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
62 | GROMACS.cuda | gromacs/2021.2 | gomklc | avx512 | 6n4o | 2.46e+01 | Xeon Gold 6148 | 63.5 | 0.0 | 0.111 | 1 | 8 | 1 | 1V100-PCIE | No | Siku |
234 | NAMD3.cuda | binary_pack/3.0b3 | - | - | 6n4o | 2.46e+01 | Xeon Gold 6148 | 100.0 | 0.0 | 0.111 | 1 | 1 | 1 | 1V100-PCIE | No | Siku |
82 | GROMACS.cuda | gromacs/2021.4 | gofbc | avx2 | 6n4o | 2.45e+01 | EPYC 7413 | 29.8 | 0.0 | 0.112 | 1 | 8 | 1 | 1A100-SXM4 | Yes | Narval |
178 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 2.44e+01 | Xeon Gold 6238 | 40.2 | 79.21 | 0.0 | 704 | 1 | 16 | 0 | No | Graham |
91 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 2.41e+01 | Xeon Gold 6148 | 34.6 | 18.2 | 0.0 | 160 | 1 | 2 | 0 | No | Niagara |
137 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx2 | 6n4o | 2.34e+01 | Xeon Silver 4216 | 100.0 | 0.0 | 0.117 | 1 | 1 | 1 | 1V100-SXM2 | Yes | Cedar |
128 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx512 | 6n4o | 2.33e+01 | Xeon Gold 6148 | 100.0 | 0.0 | 0.118 | 1 | 1 | 1 | 1V100-PCIE | No | Siku |
144 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx512 | 6n4o | 2.33e+01 | Xeon Gold 6148 | 50.0 | 0.0 | 0.236 | 1 | 2 | 1 | 2V100-PCIE | No | Siku |
28 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 2.27e+01 | Xeon Gold 6148 | 56.3 | 0.0 | 0.241 | 1 | 2 | 1 | 2V100-PCIE | No | Siku |
155 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx512 | 6n4o | 2.26e+01 | Xeon Gold 6248 | 35.8 | 0.0 | 0.364 | 1 | 3 | 1 | 3RTX6000 | No | Siku |