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• 18:21, 21 October 2022 Sysadmin talk contribs created page Benchmarking NAMD workflows for GPU containers (Created page with "<span id="benchmarking-namd2-workloads-for-gpu-containers-on-ccast"></span> == Benchmarking NAMD2 workloads for GPU containers on CCAST == <span id="stephen-szwiec"></span> Stephen Szwiec Rasulev Computational Chemistry Research Group North Dakota State University 26 July 2022 ----- <span id="apoa1-information"></span> ==== ApoA1 information ==== * simulates a bloodstream lipoprotein particle * '''physical stats''' ** 92224 atoms ** 70660 bonds ** 74136 angles ** 741...")