ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
181 | PMEMD.cuda.MPI | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 4.09e+01 | Xeon Gold 5120 | 50.7 | 0.0 | 0.134 | 2 | 1 | 1 | 2V100-PCIE | No | Graham |
129 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx2 | 6n4o | 4.08e+01 | EPYC 7413 | 100.0 | 0.0 | 0.067 | 1 | 1 | 1 | 1A100-SXM4 | Yes | Narval |
180 | PMEMD.cuda.MPI | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 4.04e+01 | Xeon Gold 5120 | 100.0 | 0.0 | 0.068 | 1 | 1 | 1 | 1V100-PCIE | No | Graham |
9 | PMEMD.cuda | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 4.03e+01 | Xeon Gold 6148 | 100.0 | 0.0 | 0.068 | 1 | 1 | 1 | 1V100-PCIE | No | Siku |
220 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx2 | 6n4o | 3.99e+01 | Xeon E5-2650 | 50.1 | 0.0 | 0.206 | 1 | 3 | 1 | 3V100-SXM2 | Yes | Cedar |
21 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 3.99e+01 | EPYC 7532 | 28.0 | 87.91 | 0.0 | 1280 | 1 | 20 | 0 | Yes | Narval |
221 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx2 | 6n4o | 3.93e+01 | Xeon E5-2650 | 37.0 | 0.0 | 0.279 | 1 | 4 | 1 | 4V100-SXM2 | Yes | Cedar |
52 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 3.91e+01 | Xeon Silver 4216 | 53.0 | 0.0 | 0.28 | 1 | 4 | 1 | 4V100-SXM2 | Yes | Cedar |
90 | GROMACS.cuda | gromacs/2021.2 | gomklc | avx512 | 6n4o | 3.90e+01 | Xeon Gold 6148 | 100.0 | 0.0 | 0.07 | 1 | 8 | 1 | 1V100-PCIE | No | Siku |
152 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 3.90e+01 | Xeon Silver 4216 | 70.4 | 0.0 | 0.211 | 1 | 3 | 1 | 3V100-SXM2 | Yes | Cedar |