Quantum ESPRESSO on SX-ACE

Osamu Watanabe (NEC Corporation)

As part of ongoing researches at the Tohoku-NEC joint research division for HPC technologies and applications, we are evaluating the performances of typical open-source software (OSS) applications for various computational sciences on SX-ACE. This presentation shows the evaluation results of “Quantum ESPRESSO”, a widely used OSS application in materials sciences, on SX-ACE in comparison with an Intel Xeon cluster. Additionally, we present the effect of the parallelization levels in Quantum ESPRESSO on its performance on both systems.