ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
39 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 2.25e+01 | Xeon Gold 6148 | 100.0 | 0.0 | 0.122 | 1 | 1 | 1 | 1V100-SXM2 | Yes | Beluga |
75 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 2.20e+01 | Xeon Gold 6248 | 100.0 | 0.0 | 0.125 | 1 | 1 | 1 | 1V100-SXM2 | Yes | Graham |
72 | GROMACS.mpi | gromacs/2021.4 | gofb | avx512 | 6n4o | 2.19e+01 | Xeon Gold 6248 | 64.9 | 10.0 | 0.0 | 80 | 1 | 2 | 0 | No | Siku |
153 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx512 | 6n4o | 2.10e+01 | Xeon Gold 6248 | 100.0 | 0.0 | 0.13 | 1 | 1 | 1 | 1RTX6000 | No | Siku |
27 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 2.02e+01 | Xeon Gold 6148 | 100.0 | 0.0 | 0.136 | 1 | 1 | 1 | 1V100-PCIE | No | Siku |
33 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 2.01e+01 | Xeon Gold 5120 | 100.0 | 0.0 | 0.136 | 1 | 1 | 1 | 1V100-PCIE | No | Graham |
98 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 1.97e+01 | Xeon Gold 6148 | 56.6 | 11.13 | 0.0 | 80 | 1 | 2 | 0 | No | Niagara |
19 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 1.96e+01 | EPYC 7532 | 55.0 | 44.71 | 0.0 | 320 | 1 | 5 | 0 | No | Narval |
156 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx512 | 6n4o | 1.95e+01 | Xeon Gold 6248 | 23.2 | 0.0 | 0.561 | 1 | 4 | 1 | 4RTX6000 | No | Siku |
172 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 1.93e+01 | Xeon E5-2683 | 50.3 | 72.68 | 0.0 | 512 | 1 | 16 | 0 | No | Graham |