ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
41 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 4.47e+01 | Xeon Gold 6148 | 49.7 | 0.0 | 0.245 | 1 | 4 | 1 | 4V100-SXM2 | Yes | Beluga |
207 | GROMACS.cuda | gromacs/2023.2 | gofbfc | avx2 | 6n4o | 4.46e+01 | Xeon Silver 4216 | 100.0 | 0.0 | 0.061 | 1 | 8 | 1 | 1V100-SXM2 | Yes | Cedar |
211 | GROMACS.cuda.mpi | gromacs/2023.2 | gofbfc | avx2 | 6n4o | 4.46e+01 | Xeon Silver 4216 | 100.0 | 0.0 | 0.061 | 1 | 8 | 1 | 1V100-SXM2 | Yes | Cedar |
213 | GROMACS.cuda.mpi | gromacs/2023.2 | gofbfc | avx2 | 6n4o | 4.43e+01 | Xeon Silver 4216 | 24.8 | 0.0 | 0.247 | 4 | 8 | 1 | 4V100-SXM2 | Yes | Cedar |
66 | GROMACS.mpi | gromacs/2021.2 | gomkl | avx512 | 6n4o | 4.42e+01 | Xeon Gold 6248 | 61.5 | 9.93 | 0.0 | 160 | 1 | 4 | 0 | No | Siku |
212 | GROMACS.cuda.mpi | gromacs/2023.2 | gofbfc | avx2 | 6n4o | 4.39e+01 | Xeon Silver 4216 | 49.2 | 0.0 | 0.125 | 2 | 8 | 1 | 2V100-SXM2 | Yes | Cedar |
237 | NAMD3.cuda | binary_pack/3.0b3 | - | - | 6n4o | 4.21e+01 | EPYC 7413 | 100.0 | 0.0 | 0.065 | 1 | 1 | 1 | 1A100-SXM4 | Yes | Narval |
233 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx512 | 6n4o | 4.18e+01 | Xeon Gold 6148 | 36.1 | 0.0 | 0.262 | 1 | 4 | 1 | 4V100-SXM2 | Yes | Beluga |
232 | OPENMM.cuda | openmm/8.0.0 | gofbc | avx512 | 6n4o | 4.17e+01 | Xeon Gold 6148 | 48.1 | 0.0 | 0.197 | 1 | 3 | 1 | 3V100-SXM2 | Yes | Beluga |
103 | PMEMD.cuda.MPI | amber/20.9-20.15 | gomklc | avx512 | 6n4o | 4.15e+01 | Xeon Silver 4216 | 100.0 | 0.0 | 0.066 | 1 | 1 | 1 | 1V100-SXM2 | Yes | Cedar |