A detailed dynamical study is presented for N2 +/He collisions running in the electronic ground state of the collision complex. Hybrid, quantum-classical dynamical calculations have been performed considering a broad range of collision energies (Ecoll=0.01-100eV) and various initial rotational-vibrational excitations of the N2 + ion. Both non-reactive and reactive (N2 + collision-induced dissociation) cross-sections have been calculated with the momentum-transfer approximation applied to the former ones. A thorough comparison with pseudo-experimental data obtained from mobility measurements reported in the literature via an inverse-method approach has been performed and the effect of the rotational alignment of the N2 + ion on calculated cross-sections has been assessed and analyzed.

Energy efficiency is an important aspect of future exascale systems, mainly due to rising energy cost. Although High performance computing (HPC) applications are compute centric, they still exhibit varying computational characteristics in different regions of the program, such as compute-, memory-, and I/O-bound code regions. Some of today's clusters already offer mechanisms to adjust the system to the resource requirements of an application, e.g., by controlling the CPU frequency. However, manually tuning for improved energy efficiency is a tedious and painstaking task that is often neglected by application developers. The European Union's Horizon 2020 project READEX (Runtime Exploitation of Application Dynamism for Energyefficient eXascale computing) aims at developing a tools-aided approach for improved energy efficiency of current and future HPC applications. To reach this goal, the READEX project combines technologies from two ends of the compute spectrum, embedded systems and HPC, constituting a split design-time/runtime methodology. dynamic auto-tuning of fine-grained application regions using the systems scenario methodology, which was originally developed for improving the energy efficiency in embedded systems. This paper introduces the concepts of the READEX project, its envisioned implementation, and preliminary results that demonstrate the feasibility of this approach.

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This paper introduces two tools for manual energy evaluation and runtime tuning developed at IT4Innovations in the READEX project. The MERIC library can be used for manual instrumentation and analysis of any application from the energy and time consumption point of view. Besides tracing, MERIC can also change environment and hardware parameters during the application runtime, which leads to energy savings. MERIC stores large amounts of data, which are difficult to read by a human. The RADAR generator analyses the MERIC output files to find the best settings of evaluated parameters for each instrumented region. It generates a L A T E X report and a MERIC configuration file for application production runs.