ID | Software | Module | Toolch | Arch | Data | Speed | CPU | CPUeff | CPUY | GPUY | T | C | N | GPU | NVLink | Site |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
121 | NAMD2.cuda | namd-multicore/2.14 | iimklc | avx2 | 6n4o | 7.48e+00 | Xeon Silver 4216 | 83.1 | 0.0 | 0.732 | 1 | 16 | 1 | 2V100-SXM2 | Yes | Cedar |
13 | PMEMD.mpi | amber/20.9-20.15 | gomkl | avx512 | 6n4o | 7.24e+00 | Xeon Gold 6248 | 45.5 | 60.53 | 0.0 | 160 | 1 | 3 | 0 | No | Siku |
58 | NAMD2.cuda | namd-multicore/2.14 | iccifortcuda | avx2 | 6n4o | 7.18e+00 | EPYC 7413 | 41.1 | 0.0 | 0.764 | 1 | 16 | 1 | 2A100-SXM4 | Yes | Narval |
116 | NAMD2.cuda | namd-multicore/2.14 | iimklc | avx2 | 6n4o | 7.15e+00 | Xeon E5-2650 | 51.4 | 0.0 | 1.533 | 1 | 24 | 1 | 4P100-PCIE | No | Cedar |
175 | NAMD2.ucx | namd-ucx/2.14 | iimkl | avx2 | 6n4o | 6.95e+00 | Xeon E5-2683 | 72.4 | 50.46 | 0.0 | 128 | 1 | 4 | 0 | No | Graham |
135 | NAMD2.cuda.ucx | namd-ucx-smp/2.14 | iccifortcuda | avx2 | 6n4o | 6.78e+00 | EPYC 7413 | 39.1 | 0.0 | 0.809 | 2 | 12 | 1 | 2A100-SXM4 | Yes | Narval |
110 | PMEMD.mpi | amber/20.9-20.15 | gomkl | avx2 | 6n4o | 6.60e+00 | EPYC 7532 | 54.6 | 53.1 | 0.0 | 128 | 1 | 2 | 0 | Yes | Narval |
119 | NAMD2.cuda.ofi | namd-ofi-smp/2.14 | iimklc | avx2 | 6n4o | 6.33e+00 | Xeon E5-2650 | 46.8 | 0.0 | 1.731 | 4 | 6 | 1 | 4P100-PCIE | No | Cedar |
57 | NAMD2.cuda | namd-multicore/2.14 | iccifortcuda | avx2 | 6n4o | 6.23e+00 | EPYC 7413 | 35.7 | 0.0 | 0.88 | 1 | 8 | 1 | 2A100-SXM4 | Yes | Narval |
29 | NAMD3.cuda | binary_pack/3.0a9 | - | - | 6n4o | 6.21e+00 | Xeon Gold 6238 | 100.0 | 0.0 | 0.441 | 1 | 1 | 1 | 1T4 | No | Graham |