The understanding of superconducting mechanisms in high critical temperature (HTc) materials (such as copper oxides) remains one of the most challenging topics in condensed matter physics.
Using Quantum Monte Carlo simulations we aim to study realistic materials in order to determine whether high-temperature superconducting properties can be quantitatively understood and therefore predicted within an ab-initio approach. The TurboRVB package developed at SISSA (Scuola Internazionale Superiore di Studi Avanzati di Trieste) allows approaching this problem with massively parallel simulations. The TurboRVB code showed high scalability up to tens of thousands cores on many different architectures, including Intel® Xeon Phi™ (first generation).
Developments in DEEP-ER
In this context, during massive production runs the problem of resiliency strongly emerges. The peculiar characteristics of this kind of simulations, based on many quasi-independent Monte Carlo walkers, may permit to study a particular case for resiliency based on checkpointing strategies. Such strategies, in the context of the DEEP-ER hardware and software infrastructure, will become crucial to allow more precise and accurate simulations as requested from the scientific community.