ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
131 | OPENMM.cuda | openmm/7.7.0 | gofbc | avx2 | 6n4o | 5.19e+01 | EPYC 7413 | 31.8 | 0.0 | 0.211 | 1 | 4 | 1 | 4A100-SXM4 | Yes | Narval |
88 | GROMACS.cuda | gromacs/2021.4 | gofbc | avx2 | 6n4o | 5.09e+01 | EPYC 7413 | 61.9 | 0.0 | 0.054 | 1 | 12 | 1 | 1A100-SXM4 | Yes | Narval |
222 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx2 | 6n4o | 5.09e+01 | EPYC 7413 | 100.0 | 0.0 | 0.054 | 1 | 1 | 1 | 1A100-SXM4 | Yes | Narval |
74 | GROMACS.mpi | gromacs/2021.4 | gofb | avx2 | 6n4o | 5.06e+01 | EPYC 7532 | 40.2 | 13.85 | 0.0 | 256 | 1 | 4 | 0 | Yes | Narval |
93 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 4.99e+01 | Xeon Gold 6148 | 17.9 | 35.16 | 0.0 | 640 | 1 | 8 | 0 | No | Niagara |
24 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 4.99e+01 | EPYC 7413 | 74.1 | 0.0 | 0.11 | 1 | 2 | 1 | 2A100-SXM4 | Yes | Narval |
104 | PMEMD.cuda.MPI | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 4.92e+01 | Xeon Silver 4216 | 59.4 | 0.0 | 0.111 | 2 | 1 | 1 | 2V100-SXM2 | Yes | Cedar |
210 | GROMACS.cuda | gromacs/2023.2 | gofbfc | avx2 | 6n4o | 4.83e+01 | Xeon Silver 4216 | 27.1 | 0.0 | 0.227 | 1 | 32 | 1 | 4V100-SXM2 | Yes | Cedar |
209 | GROMACS.cuda | gromacs/2023.2 | gofbfc | avx2 | 6n4o | 4.73e+01 | Xeon Silver 4216 | 53.1 | 0.0 | 0.116 | 1 | 16 | 1 | 2V100-SXM2 | Yes | Cedar |
87 | GROMACS.mpi | gromacs/2021.4 | gofb | avx2 | 6n4o | 4.58e+01 | EPYC 7532 | 9.1 | 61.29 | 0.0 | 1024 | 1 | 16 | 0 | Yes | Narval |