NAMD/Note

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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