TABLE 1.
Best Benchmark Performance (ns/day) of DHFR and ApoA1 on PC Clusters and STMV on K Computer
| System | DHFR | ApoA1 | STMV |
|---|---|---|---|
| SPDYN (PC) | 95.78 (512, 81) | 32.74 (512, 41) | 3.88 (512, 41) |
| ATDYN (PC) | 15.60 (512, 81) | 3.50 (512, 161) | — |
| NAMD (PC) | 157.10 (512) | 50.31 (512) | 8.43 (512) |
| CHARMM(PC) | 47.21 (128) | 16.65 (512) | 2.16 (512) |
| SPDYN (K) | — | — | 39.17 (32,768) |
| NAMD (K) | — | — | 9.18 (8,192) |
Numbers in parentheses are number of CPU cores used to get the best performance.
1
Table 1Number of OpenMP threads used to get the best performance.