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Proposing Institution

Universitą degli Studi di Modena e Reggio Emilia,UNIMO · Department of Physics, Informatics and Mathematics
Project Manager

Dr. Andrea Ferretti
Via Campi 213/A
I-41125 Modena
On behalf of the Management of the "MaX - Materials Design at the Exascale" CoEwe write to ask for access to the computational resources that PRACE hasdedicated to the CoE’s established by the E-INFRA-5-2015 call. MAX is stronglycommitted to support a number of popular community codes in electronic structureand materials science (QUANTUM ESPRESSO, SIESTA, YAMBO, FLEUR) duringthe transition to the exascale of the European HPC ecosystem.In view of the large effort MAX is putting in code development, we would like to usethe CoE-dedicated resources of PRACE for assessing and benchmarking the HPCcapabilities of our codes during the development. This is also particularly relevantsince some of MAX KPI’s are actually strongly related to the parallel performanceof the flagship codes and how it improves during the time-span of the MAX project.In particular, for each flagship code we plan to run two to three different inputdatasets corresponding to small (medium) and large size systems. For each ofthem, we will consider at least 5 different runs varying the number of coresinvolved. Please note that by “large system run” here we mean a run targetting amachine partition of about 50-200 TFlops.

Impressum, Conny Wendler