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cs.DC2026
Performance Portability of Out-of-Kernel Optimizations on GPUs: A Molecular Docking Case Study
Gianmarco Accordi, Leonardo Beltrame, Theresa Pollinger +3
Achieving performance portability is challenging for irregular scientific applications built as repeated multi-kernel GPU pipelines, because throughput depends on out-of-kernel dec…
cs.DC2025
Towards High-Performance and Portable Molecular Docking on CPUs through Vectorization
Gianmarco Accordi, Jens Domke, Theresa Pollinger +2
Recent trends in the HPC field have introduced new CPU architectures with improved vectorization capabilities that require optimization to achieve peak performance and thus pose ch…