NAMD/Note

Performance expectations

To better decide how and where to run, the ApoA1 benchmark has been run using NAMD 2.10 for reference. All Euler nodes show similar performance.

ApoA1 Benchmark Performance Using Threaded NAMD 2.10 on Euler.

Cores	Performance/(ns/day)
1	0.10
24	2.3±0.05

ApoA1 Benchmark Performance Using MPI-based NAMD 2.10 on Euler.

Cores	Performance/(ns/day)
1	0.10
24	2.25±0.1
48	4.3
72	5.9
96	7.5
144	10.9