ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
23 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 3.36e+01 | EPYC 7413 | 100.0 | 0.0 | 0.081 | 1 | 1 | 1 | 1A100-SXM4 | Yes | Narval |
26 | PMEMD.cuda.MPI | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 3.34e+01 | Xeon Gold 6148 | 41.3 | 0.0 | 0.164 | 2 | 1 | 1 | 2V100-PCIE | No | Siku |
40 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 3.30e+01 | Xeon Gold 6148 | 73.5 | 0.0 | 0.166 | 1 | 2 | 1 | 2V100-SXM2 | Yes | Beluga |
183 | PMEMD.cuda.MPI | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 3.30e+01 | Xeon Gold 5120 | 20.4 | 0.0 | 0.332 | 4 | 1 | 1 | 4V100-PCIE | No | Graham |
227 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx512 | 6n4o | 3.29e+01 | Xeon Gold 6148 | 65.9 | 0.0 | 0.166 | 1 | 2 | 1 | 2V100-SXM2 | Yes | Beluga |
49 | PMEMD.cuda.MPI | amber/20.12-20.15 | gofbc | avx512 | 6n4o | 3.23e+01 | Xeon Gold 6148 | 45.7 | 0.0 | 0.17 | 2 | 1 | 1 | 2V100-PCIE | No | Siku |
20 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 3.22e+01 | EPYC 7532 | 45.2 | 54.44 | 0.0 | 640 | 1 | 10 | 0 | Yes | Narval |
22 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 3.13e+01 | EPYC 7532 | 11.0 | 224.21 | 0.0 | 2560 | 1 | 40 | 0 | No | Narval |
138 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx2 | 6n4o | 3.08e+01 | Xeon Silver 4216 | 65.8 | 0.0 | 0.178 | 1 | 2 | 1 | 2V100-SXM2 | Yes | Cedar |
80 | GROMACS.cuda | gromacs/2021.4 | gofbc | avx2 | 6n4o | 2.95e+01 | EPYC 7413 | 35.9 | 0.0 | 0.093 | 1 | 12 | 1 | 1A100-SXM4 | Yes | Narval |