most citedPerformance metrics in a hybrid MPI-OpenMP based molecular dynamics simulation with short-range interactions

15 citations · 15 across the 1 of their papers we have counts for

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1 paper

physics.comp-ph2015★ 15 cited

Performance metrics in a hybrid MPI-OpenMP based molecular dynamics simulation with short-range interactions

Anirban Pal, Abhishek Agarwala, Soumyendu Raha +1

We discuss the computational bottlenecks in molecular dynamics (MD) and describe the challenges in parallelizing the computation intensive tasks. We present a hybrid algorithm usin…