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Experiments MD workload

In these experiments, we vary the number of the executables (referred to as compute unit (CU)) on a varying number of cores of Titan. We meeasure strong and weak scalability as defined in Ref. Each executable is Gromacs, consistent with this use case.(https://docs.google.com/document/d/1a8i38Z_aROQgylRNtbsePGH6UovRJgg0WW4gbk5kW4A/edit#heading=h.8tk04bz0vj23)

We execute two experiments with:

  1. Strong Scaling: 512 tasks executed using between 128 and 512 cores
  2. Weak Scaling: Betwen 128 and 512 tasks executed on between 16 and 1024 cores, so as to keep ratio of number of tasks to cores constant (=1).

In both experiments we record the time to completion (TTC) of the execution as a measure of strong and weak scalability.

Experiment 1

Weak Scalability

Experiment 2

Strong Scalability

Experiments-ATLAS-paper

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