3 papers
cs.DC2019
Tunable Approximations to Control Time-to-Solution in an HPC Molecular Docking Mini-App
Davide Gadioli, Gianluca Palermo, Stefano Cherubin +7
The drug discovery process involves several tasks to be performed in vivo, in vitro and in silico. Molecular docking is a task typically performed in silico. It aims at finding the…
cs.DC2019
Exploiting OpenMP & OpenACC to Accelerate a Molecular Docking Mini-App in Heterogeneous HPC Nodes
Emanuele Vitali, Davide Gadioli, Gianluca Palermo +3
In drug discovery, molecular docking is the task in charge of estimating the position of a molecule when interacting with the docking site. This task is usually used to perform scr…
cs.DC2019
The ANTAREX Domain Specific Language for High Performance Computing
Cristina Silvano, Giovanni Agosta, Andrea Bartolini +19
The ANTAREX project relies on a Domain Specific Language (DSL) based on Aspect Oriented Programming (AOP) concepts to allow applications to enforce extra functional properties such…