"Scaling molecular dynamics for large-scale simulation of biological ..."

Diego Ugarte La Torre, Jaewoon Jung, Yuji Sugita (2025)

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DOI: 10.1145/3712031.3712036

access: closed

type: Conference or Workshop Paper

metadata version: 2025-05-01

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Diego Ugarte La Torre, Jaewoon Jung, Yuji Sugita:
Scaling molecular dynamics for large-scale simulation of biological systems on AMD CPU/GPU supercomputers: Lessons from LUMI: Optimizing GENESIS for maximizing the computational efficiency of CPU and GPU kernels on the LUMI supercomputer. HPC Asia 2025: 1-12

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