• Energy Research

Designing and optimizing HPC applications are difficult and complex tasks, which require mastering specialized languages and tools for performance tuning. As this is incompatible with the current trend to open HPC infrastructures to a wider range of users, the availability of more sophisticated programming languages and tools to assist and automate the design stages is crucial to provide smoothly migration paths towards novel heterogeneous HPC platforms. The ANTAREX project intends to address these issues by providing a tool flow, a DSL, and APIs to provide application's adaptivity and to runtime manage and autotune applications for heterogeneous HPC systems. Our DSL provides a separation of concerns, where analysis, runtime adaptivity, performance tuning and energy strategies are specified separately from the application functionalities with the goal to increase productivity, significantly reduce time to solution, while making possible the deployment of substantially improved implementations. This paper presents the ANTAREX tool flow and shows the impact of optimization strategies in the context of one of the ANTAREX use cases which is related to personalized drug design. We show how simple strategies, not devised by typical compilers, can substantially speedup the execution and reduce energy consumption.

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 as energy-efficiency and performance and to optimize Quality of Service (QoS) in an adaptive way. The DSL approach allows the definition of energy-efficiency, performance, and adaptivity strategies as well as their enforcement at runtime through application autotuning and resource and power management. In this paper, we present an overview of the ANTAREX DSL and some of its capabilities through a number of examples, including how the DSL is applied in the context of one of the project use cases.

The ANTAREX project aims at expressing the application self-adaptivity through a Domain Specific Language (DSL) and to run-time manage and autotune applications for green and heterogeneous High Performance Computing (HPC) systems up to Exas-ale. The DSL approach allows the definition of energy-efficiency, performance, and adaptivity strategies as well as their enforcement at runtime through application autotuning and resource and power management. We show through a mini-app extracted from one of the project application use cases some initial exploration of application precision tuning by means enabled by the DSL.

Here we report that at room temperature in acetonitrile after the reduction of the naphthalimide-site, a synthetic molecular thread undergoes a complete conformational change which makes possible an efficient conversion of chemical energy into mechanical work; such results point out the ability of the thread to act as a molecular device under electrochemical control.

The main goal of the ANTAREX project is to express by a Domain Specific Language (DSL) the application self-adaptivity and to runtime manage and autotune applications for green and heterogeneous High Performance Computing (HPC) systems up to the Exascale level. Key innovations of the project include the introduction of a separation of concerns between self-adaptivity strategies and application functionalities. The DSL approach will allow the definition of energy-efficiency, performance, and adaptivity strategies as well as their enforcement at runtime through application autotuning and resource and power management.

The present study concerns the factors affecting the structure, stability, and bonding character of the T-shaped and linear intermediates emerged from the recent investigation of the He(HeHHe+), He(NeHNe+), and He(ArHAr+) potential energy surfaces (PESs) [ASC Earth Space Chem. 6 (2022) 1924-1929]. The major role is played by the molecular electrostatic potential of the NgHNg+, which determines the topology of the PESs, the absolute and relative stability of the intermediates, and their bonding situation, as enlightened by Symmetry-Adapted Perturbation Theory, and by our recently proposed method of bonding analysis of noble-gas compounds [J. Chem. Phys. 156 (2022) 014104].