Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

Mathialakan Thavappiragasam, Wael R. Elwasif, Ada Sedova. Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?. In 22nd IEEE International Symposium on Cluster, Cloud and Internet Computing, CCGrid 2022, Taormina, Italy, May 16-19, 2022. pages 975-984, IEEE, 2022. [doi]

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