ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
225 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx2 | 6n4o | 6.85e+01 | EPYC 7413 | 33.7 | 0.0 | 0.16 | 1 | 4 | 1 | 4A100-SXM4 | Yes | Narval |
67 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 6.78e+01 | Xeon Gold 6248 | 47.2 | 12.94 | 0.0 | 320 | 1 | 8 | 0 | No | Siku |
148 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 6.25e+01 | EPYC 7413 | 61.9 | 0.0 | 0.131 | 1 | 3 | 1 | 3A100-SXM4 | Yes | Narval |
238 | NAMD3.cuda | binary_pack/3.0b3 | - | - | 6n4o | 6.17e+01 | EPYC 7413 | 73.4 | 0.0 | 0.089 | 1 | 2 | 1 | 2A100-SXM4 | Yes | Narval |
224 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx2 | 6n4o | 6.13e+01 | EPYC 7413 | 40.2 | 0.0 | 0.134 | 1 | 3 | 1 | 3A100-SXM4 | Yes | Narval |
223 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx2 | 6n4o | 5.88e+01 | EPYC 7413 | 57.9 | 0.0 | 0.093 | 1 | 2 | 1 | 2A100-SXM4 | Yes | Narval |
96 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 5.62e+01 | Xeon Gold 6148 | 40.4 | 15.6 | 0.0 | 320 | 1 | 8 | 0 | No | Niagara |
105 | PMEMD.cuda.MPI | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 5.37e+01 | Xeon Silver 4216 | 32.4 | 0.0 | 0.204 | 4 | 1 | 1 | 4V100-SXM2 | Yes | Cedar |
94 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 5.30e+01 | Xeon Gold 6148 | 9.5 | 66.13 | 0.0 | 1280 | 1 | 16 | 0 | No | Niagara |
132 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx2 | 6n4o | 5.30e+01 | EPYC 7413 | 43.2 | 0.0 | 0.155 | 1 | 3 | 1 | 3A100-SXM4 | Yes | Narval |