ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
18 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 1.29e+01 | EPYC 7532 | 72.4 | 33.97 | 0.0 | 160 | 1 | 3 | 0 | No | Narval |
139 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx2 | 6n4o | 1.26e+01 | Xeon E5-2650 | 61.4 | 0.0 | 0.435 | 1 | 2 | 1 | 2P100-PCIE | No | Cedar |
216 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx2 | 6n4o | 1.25e+01 | Xeon E5-2650 | 39.3 | 0.0 | 0.656 | 1 | 3 | 1 | 3P100-PCIE | No | Cedar |
76 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 1.25e+01 | Xeon Gold 6248 | 28.4 | 0.0 | 0.438 | 1 | 2 | 1 | 2V100-SXM2 | Yes | Graham |
142 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx2 | 6n4o | 1.24e+01 | Xeon E5-2650 | 40.4 | 0.0 | 0.661 | 1 | 3 | 1 | 3P100-PCIE | No | Cedar |
63 | GROMACS.cuda | gromacs/2021.2 | gomklc | avx512 | 6n4o | 1.22e+01 | Xeon Gold 6148 | 15.8 | 0.0 | 0.448 | 2 | 8 | 1 | 2V100-PCIE | No | Siku |
171 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 1.19e+01 | Xeon E5-2683 | 62.0 | 58.94 | 0.0 | 256 | 1 | 8 | 0 | No | Graham |
108 | PMEMD.mpi | amber/20.9-20.15 | gomkl | avx2 | 6n4o | 1.17e+01 | EPYC 7532 | 24.3 | 119.53 | 0.0 | 512 | 1 | 8 | 0 | Yes | Narval |
217 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx2 | 6n4o | 1.15e+01 | Xeon E5-2650 | 27.1 | 0.0 | 0.954 | 1 | 4 | 1 | 4P100-PCIE | No | Cedar |
140 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx2 | 6n4o | 1.14e+01 | Xeon E5-2650 | 27.8 | 0.0 | 0.96 | 1 | 4 | 1 | 4P100-PCIE | No | Cedar |