ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
145 | PMEMD.cuda.MPI | amber/20.12-20.15 | gofbc | avx2 | 6n4o | 1.55e+01 | EPYC 7413 | 7.5 | 0.0 | 0.529 | 3 | 1 | 1 | 3A100-SXM4 | Yes | Narval |
102 | PMEMD.cuda | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 1.49e+01 | Xeon E5-2650 | 100.0 | 0.0 | 0.183 | 1 | 1 | 1 | 1P100-PCIE | No | Cedar |
149 | PMEMD.cuda.MPI | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 1.49e+01 | Xeon E5-2650 | 100.0 | 0.0 | 0.183 | 1 | 1 | 1 | 1P100-PCIE | No | Cedar |
43 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx512 | 6n4o | 1.44e+01 | Xeon Gold 6248 | 44.6 | 61.02 | 0.0 | 320 | 1 | 8 | 0 | No | Siku |
36 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 1.42e+01 | Xeon Gold 6248 | 100.0 | 0.0 | 0.193 | 1 | 1 | 1 | 1RTX6000 | No | Siku |
215 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx2 | 6n4o | 1.42e+01 | Xeon E5-2650 | 66.7 | 0.0 | 0.387 | 1 | 2 | 1 | 2P100-PCIE | No | Cedar |
89 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 1.40e+01 | Xeon Gold 6148 | 40.2 | 15.65 | 0.0 | 80 | 1 | 1 | 0 | No | Niagara |
78 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 1.39e+01 | Xeon Gold 6248 | 7.9 | 0.0 | 1.575 | 1 | 8 | 1 | 8V100-SXM2 | Yes | Graham |
64 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 1.38e+01 | Xeon Gold 6248 | 76.8 | 7.94 | 0.0 | 40 | 1 | 1 | 0 | No | Siku |
70 | GROMACS.mpi | gromacs/2021.4 | gofb | avx512 | 6n4o | 1.31e+01 | Xeon Gold 6248 | 77.8 | 8.34 | 0.0 | 40 | 1 | 1 | 0 | No | Siku |