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  • MARCONI
  • Version 2.12 (BDW A1 partition)

Version 2.12 (A1 partition) - work in progress

Input:  (http://www.ks.uiuc.edu/Research/namd/utilities/)

STMV (virus) benchmark (1,066,628 atoms, periodic, PME)

Graphic 1: the NAMD performance (simulation time in ns/day) is reported vs. the increasing number of cores

 

 

 

Input:  (http://www.ks.uiuc.edu/Research/namd/utilities/)
APOA1 - Acquaporin, (water channel) benchmark (92 224 atoms, periodic, PME)

Graphic 1: the NAMD performance (simulation time in ns/day) is reported vs. the increasing number of cores

 

    

MARCONI (KNL- A2 partition)

Problem

 

Performance data for NAMD on KNL is present on the Intel website,
but until recently it  has been impossible to replicate the data reported by Intel. In particular, single node performance was very poor:

8 1.53863 0.649929
16 0.798383 1.25253
32 0.41594 2.40419
68 0.33502 2.9849
136 6.17328 0.16198

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