ENEA CRESCO in the fight against COVID-19
![](https://ict.enea.it/wp-content/uploads/2020/05/enea-cresco-covid19.jpg)
A two-day workshop dedicated to the exploitation of ENEA HPC CRESCO in the fight against COVID-19 was held on Jan.26th and Feb.23rd, 2021. The workshop topic was on the responses provided by computing scientist community to the COVID-19 pandemic emergency. The workshop talks covered a wide range of applications needing of HPC resources for numerical simulations manly in the research areas of Molecular Dynamics, Computational Fluid-Dynamic and Artificial Intelligence. Mostly of those talks are the result of collaborations between ENEA TERIN-ICT, universities and public research institutes for exploiting the computing resources of ENEA CRESCO: Computational RESsearch Centre on COmplex systems, able to provide HPC multicores-multiprocessors clusters interconnected by high bandwidth and low latency networks including high performance storage areas.
Abstract
Il volume raccoglie 7 articoli scientifici prodotti a valle delle 2 giornate di Workshop riguardanti il contributo del supercomputer CRESCO dell’ENEA in attività di ricerca per la lotta contro la pandemia COVID-19.
Una notevole quantità di ore di calcolo in parallelo sono state erogate per simulazioni numeriche complesse effettuate da istituzioni di ricerca che hanno chiesto di collaborare con ENEA nella lotta contro il Covid-19, sfruttando la potenza di calcolo del supercomputer CRESCO6, entrato nel 2018 nella TOP500 dei supercomputer più potenti al mondo.
A un anno dalla messa a disposizione di CRESCO6 sono state eseguite migliaia di simulazioni di dinamica molecolare (Molecular Dynamics – MD) e fluidodinamica computazionale (Computational Fluid Dynamics, CFD), finalizzate sia ad individuare molecole per nuovi farmaci attivi contro il virus che studiarne la propagazione tra le persone in ambienti chiusi.
CRESCO è parte di ENEAGRID, l’infrastruttura di calcolo distribuito dell’ENEA, che copre sei centri ENEA: Portici, Frascati, Casaccia, Brindisi, Bologna e Trisaia. La maggior parte dei sistemi di calcolo sono situati a Portici, con il cluster CRESCO6, con potenza di circa 1.4 PFlops.
Abstract english version
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.