This dataset reflects the parallel execution profiles of five Quantum ESPRESSO simulation (QE) versions in finding the total energy of the Cerium Oxide lattice using the self-consistent field (SCF) method. The data analysis used a strong scale setting to identify the optimal parameters and computing resources needed to complete a single SCF loop for one specific material efficiently. ... https://www.marcelovicente.com/product-category/rollers/
Performance and profiling data of plane-wave calculations in quantum ESPRESSO simulation on three supercomputing centres
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