Simplifying HPC resource selection: A tool for optimizing execution time and cost on Azure

Azure Cloud offers a wide range of resources for running HPC workloads, requiring users to configure their deployment by selecting VM types, number of VMs, and processes per VM. Suboptimal decisions may lead to longer execution times or additional costs for the user. We are developing an open-source tool to assist users in making these decisions by considering application input parameters, as they influence resource consumption. The tool automates the time-consuming process of setting up the cloud environment, executing the benchmarking runs, handling output, and providing users with resource selection recommendations as high level insights on run times and costs across different VM types and number of VMs. In this work, we present initial results and insights on reducing the number of cloud executions needed to provide such guidance, leveraging data analytics and optimization techniques with two well-known HPC applications: OpenFOAM and LAMMPS.