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. 2023 Aug 21;10:546. doi: 10.1038/s41597-023-02408-4

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Fig. 1 — The computational workflow that processes molecules in parallel on a large Linux cluster using a master-worker pattern. The dynamic task distributor helps obtain dynamic load balancing, whereas the file system overhead is mitigated using the hierarchical storage consisting of an in-memory file system and a high-speed parallel file system.