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**Proposed layout for 'multidir' scaling plots** #180

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@jkoefinger
    **Proposed layout for 'multidir' scaling plots**

The left axis shows the individual (per system, blue circles) and cumulative performance (green crosses), while the left axis shows the performance relative to the 1GPU & 1 system case. Notes:

  • Gromacs requires ranks to be a multiple of the number of simulations. Here, they were set equal.
  • In all cases, the maximum allowed threads gave the best performance. Still, the optimal combination should be tested.
  • All possible interactions of the Martini test system (no PME!) were offloaded to gpu using
    srun gmx_mpi mdrun -nb gpu -bonded gpu -v -maxh 0.25 -resethway -noconfout -deffnm topol

performance-figure0-1

Originally posted by @balazsfabian in #179 (comment)

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