Table 4. Throughput Timings (ns/day) for AMBER GB Simulations of Apo-Myoglobin (2,492 atoms) with a Time Step of 2 fs Using the Serial GPU Version with Different Precision Modelsa.
precision model | SPSP | SPDP | DPDP |
---|---|---|---|
M2090 (6 GB) | 92.7 | 78.1 | 25.8 |
C2070 (6 GB) | 73.7 | 64.3 | 20.5 |
C1060 (4 GB) | 41.2 | 31.5 | 5.4 |
GTX580 (1.5 GB, PNY XLR8) | 111.4 | 88.7 | 16.0 |
For details on the hardware and software stack, see the text.