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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
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:
srun gmx_mpi mdrun -nb gpu -bonded gpu -v -maxh 0.25 -resethway -noconfout -deffnm topol
Originally posted by @balazsfabian in #179 (comment)
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