MHPC Workshop on High Performance Computing

Session

HPC in science

Feb 26, 2016, 8:45 AM

SISSA, International School for Advanced Studies

Conveners

HPC in science: Condensed Matter

• Ivan Girotto

HPC in science: Astrophysics and Earth Science

• Giuliano Taffoni

HPC in science: High Energy Physics

• Andrea Bressan

15. Here and now: the intersection of computational science and computer science

Nicola Marzari (EPFL)

2/26/16, 8:45 AM

Quantum-mechanical simulations have become dominant and widely used tools for scientific discovery and technological advancement; since they are performed without any experimental input or parameter they can streamline, accelerate, or replace actual physical experiments. This is a far-reaching paradigm shift, substituting the cost- and time-scaling of brick-and-mortar facilities, equipment,...

16. High Performance Computing and Materials Science: How atomistic simulations can pave the way for clean and sustainable energy

Ralph Gebauer (ICTP)

2/26/16, 9:25 AM

The availability of cheap and abundant energy was one of the main drivers of the industrial revolution. Until today, energy remains an essential ingredient for many aspects of human activity. Is is recognized that a major challenge of our times is the transition towards sustainable energy conversion, moving away from carbon-based fossil fuels. Developing more efficient and cheaper ways to...

40. MHPC thesis: High-performance implementation of the Density Peak clustering algorithm

Marco Borelli (MHPC - SISSA)

2/26/16, 9:45 AM

We developed a parallel implementation of the “Density Peak” clustering algorithm, exploiting C++11, OpenMP and the FLANN library for k-nearest-neighbour search. The modified algorithm is approximately 50 times faster than the original version on datasets with half a million points, and scales almost linearly with the dataset size. Thanks to improvements on the density estimation and...

25. Improving Performance of Basis-set-free Hartree-Fock Calculations Through Grid-based Massively Parallel Techniques

Mr Fernando Posada (MHPC)

2/26/16, 10:00 AM

Multicenter numerical integration scheme for polyatomic molecules has been implemented as an initial step to develop a complete basis-set-free Hartree-Fock (HF) software. The validation of the integration scheme includes the integration of the total density and the calculation of Coulomb potentials for several diatomic molecules. A finite difference method is used to solve Poisson's equation...

18. Simulating Cosmic Structure Formation

Volker Springel (The Heidelberg Institute for Theoretical Studies)

2/26/16, 10:45 AM

Numerical simulations on supercomputers play an ever more important role in astrophysics. They have become the tool of choice to predict the non-linear outcome of the initial conditions left behind by the Big Bang, providing crucial tests of cosmological theories. However, the problem of galaxy and star formation confronts us with a staggering multi-physics complexity and an enormous dynamic...

19. Numerical simulations of galaxies and galaxy clusters at the Trieste Observatory

Giuseppe Murante (OATS-INAF)

2/26/16, 11:15 AM

20. HPC for Earth Sciences: training opportunities and research challenges

Stefano Salon (OGS)

2/26/16, 11:35 AM

21. MHPC Thesis: Shyfem Parallelization: An innovative task approach for coastal environment FEM software

Eric Pascolo (MHPC - OGS)

2/26/16, 11:55 AM

SHYFEM is a finite element hydrodynamic code written by Georg Umgiesser in the 80s to model Venice lagoon for his master thesis; its development has been continued by CNR-ISMAR group. It is one of the few opensource codes for coastal areas that use a finite element approach. SHYFEM is a very important resource because it is focused on coastal areas and can be coupled it with other software in...

0. HPC in Europe Prace

Sanzio Bassini (CINECA)

2/26/16, 12:15 PM

22. The path toward High Performance Computing in High Energy Physics

Federico Carminati (CERN)

2/26/16, 2:15 PM

23. Studies of Flavor and Hadron Physics using Lattice QCD simulations with modern HPC hardware

Silvano Simula (INFN - Roma3)

2/26/16, 2:55 PM

24. High Performance Computing in the ALICE experiment

Massimo Masera (Università di Torino)

2/26/16, 3:15 PM

17. MHPC Thesis: Analysis of Hybrid Parallelization strategies: Simulation of Anderson Localization

Jimmy Aguilar Mena (MHPC - ICTP)

2/26/16, 3:35 PM

This thesis presents two experiences of hybrid programming applied to condensed matter and high energy physics. The two projects differ in various aspects, but both of them aim to analyse the benefits of using accelerated hardware to speedup the calculations in current science-research scenarios. The first project enables massively parallelism in a simulation of the Anderson localisation...