ENEA CRESCO in the fight against COVID-19
This volume publishes 7 scientific papers provided after the 2-day Workshop on the usage of ENEA's CRESCO supercomputer in research activities in the fight against the COVID-19 pandemic.
A considerable amount of parallel computing hours have been provided for complex numerical simulations carried out by research institutions that have asked to collaborate with ENEA in the fight against Covid-19, exploiting the computing power of the supercomputer CRESCO6, entered in 2018 in the TOP500 of the most powerful supercomputers in the world. One year after CRESCO6 was made available, thousands of molecular dynamics (Molecular Dynamics - MD) and computational fluid dynamics (Computational Fluid Dynamics, CFD) simulations have been performed, aimed both at identifying molecules for new drugs active against the virus and studying its propagation among people in closed environments. CRESCO is part of ENEAGRID, the distributed computing infrastructure of ENEA, which spread over six ENEA centres: Portici, Frascati, Casaccia, Brindisi, Bologna and Trisaia. Most of the computing resources are located in Portici, where CRESCO6 HPC system has got a computing peak power of about 1.4 PFlops.