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(Updated November 2022)

G100

Version 2.14

 

In this page

  • 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

 

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

APOA1 - Acquaporin, (water channel) benchmark (92 224 atoms, periodic, PME)

Table 1: Performance of pure MPI run 

n nodesn coresPerformance ns/day
1486.17997
29611.9407
314416.8295
419221.6144
524025.831
628831.1206
733632.6168
838435.6982
943239.7144
1048044.5508
1257651.6476
1476259.0734
1676867.7865
1886472.83
2096063.2455


 

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

 

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MARCONI (KNL- A2 partition)

 

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

nodes (48 core per node)


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