Introduc)on & HPC Ivan Giro3o igiro3o@ictp.it HPC Applica?ons - PowerPoint PPT Presentation

Introduc)on & HPC Ivan Giro3o – igiro3o@ictp.it HPC Applica?ons Specialist Interna?onal Centre for Theore?cal Physics (ICTP) Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 1 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

Mission - An ins?tute run by scien?sts for scien?sts Foster the growth of advanced studies and research in physical and • mathema?cal sciences, especially in support of excellence in developing countries. Develop high-level scien?fic programmes keeping in mind the needs of • developing countries, and provide an interna?onal forum of scien?fic contact for scien?sts from all countries. Conduct research at the highest interna?onal standards and maintain a • conducive environment of scien?fic inquiry for the en?re ICTP community. Thanks to the generous funding from the Italian Government, UNESCO and the • IAEA, ICTP has been able to ini?ate and implement various schemes of support and assistance to scien?sts from developing countries. Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 2 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 3 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

ICTP from Trieste to the World research and training permanent 30 coordina?on scien?sts temporary scien?fic staff: post-docs, mostly research 100 staff associates, long-term visitors do own or collabora?ve research, or short-term visitors: 400 receive training through par?cipa?on associates, guest scien?sts receive training through par?cipa?on in conferences, schools, conferences, and schools and workshops; around 6000 per year exchange of informa?on diploma students Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 4 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 5 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

• More than 140,000 visits since 1970 ++NEW++ • 190 countries represented The ICTP Partner Ins)tutes • 20% of ICTP visi?ng scien?sts are women ICTP-ECAR Turkey ICTP-AP MCTP China Mexico ICTP-SAIFR Brazil EAIFR Rwanda

Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 7 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

ICTP Scien?fic Calendar • Schools, Conferences, Workshops around the year • Half of them on subjects related to main research areas (core) • The rest on many subjects: medical physics, op?cs, nano physics, plasma physics, electronics, high performance compu?ng, biophysics, satellite naviga?on, science dissemina?on and e-learning, m-science, entrepreneurship, nuclear physics (IAEA), teacher training, 3-D Prin?ng, etc... • h*p://www.ictp.it/scien?fic-calendar.aspx Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 8 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

Scien?fic Sec?ons Condensed High Energy Earth System Ma3ers and Cosmology and Physics Sta)s)cal Physics Astropar)cle Physics Mathema)cs New areas Applied Physics Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 9 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

HPC Staff and Collaborators me HPC Applica?on Specialist @ ICTP Dr. Axel Kohlmeyer Full Professor of Research @ Temple University Dr. David Grellsheid Herwig Sogware Manager Dr. Clement Onime @ Durham University Responsible IT/HPC Infrastructure @ ICTP Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 10 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

High-Performance & Scien?fic Compu?ng ac?vi?es at the ICTP • HPC service and HPC applica?on consul?ng – in house HPC facility (Argo) – research enablement on massively parallel systems for HPC on both na?onal service (CINECA) and EU infrastructures (PRACE) • Training on HPC and Scien?fic Programming Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 11 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

MHPC in pills: www.mhpc.it • High-level educa?onal program: not an Ms.C. program! • Intensive training aimed to build knowledge in solving complex problems with an HPC approach • Innova?ve, hands-on based training • Aimed to people with strong interest in: – advanced programming for scien?fic compu?ng – sogware op?miza?on – management of compu?ng plakorms – data management and data analy?cs Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 12 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

Background Requirements • Candidates must have some experience in programming and a competence in at least one of the languages between C, C++ and/or Fortran – Python knowledge is a plus • A sound knowledge of Linux opera?ng system • Master level of a scien?fic degree is required • No prior HPC knowledge is assumed • Enthusiasm is a must Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 13 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

1 year program divided in 6-8 months courses and 6 month project (some overlap) Mandatory Op)onal Choice ● Data structures, sor?ng and searching ● Scien?fic Programming Environment algorithms in serial and parallel ● Introduc?on to Computer ● Lookup tables, cell lists and neighbor Architectures for HPC lists ● Object Oriented Programming ● Domain decomposi?on techniques ● Parallel FFT techniques ● Parallel Programming ● Parallel Linear Algebra ● Introduc?on to Numerical Analysis ● Mul?pole expansion, mul?-grid ● Advanced Computer Architectures methods and Op?miza?ons ● Adap?ve Meshes ● Parallel Data Management and Data ● Maximum likelihood techniques Exchange ● Cluster or network or graph analysis ● Monte Carlo methods ● High Performance Compu?ng ● Agent-based models Technology ● Automa?c differen?a?on ● Best Prac?ces in Scien?fic Compu?ng ● DFT from source to code Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 14 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

La)n American Introductory School on Parallel Programming and Parallel Architecture for High Performance Compu)ng • Interna?onal experience • Parallel programming for HPC • HPC approach to parallel codes • Best prac?se experiences • Computer architectures for HPC Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 15 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

Prof. Wolfgang Bangerth Professor Dr. Richard Berger Colorado State University (USA) Dr. Gavin Pringle Research Assistant Professor Applica?ons Consultant Temple University (USA) EPCC @ University of of Edinburgh (UK) Jimmy Aguilar Mena Marlon Brenes Navarro Dr. J. Manuel Solano-Altamirano Dr. William Fernando Oquendo Pa?ño PhD Student PhD Student Research Assistant Professor Assistant Professor BSC-CNS (Spain) Trinity College Dublin (Ireland) Benemérita Universidad Autónoma de Puebla (Mexico) Universidad de La Sabana (Colombia) Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 16 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

Why use Computers in Science? • Use complex theories without a closed solu?on: solve equa?ons or problems that can only be solved numerically, i.e. by inser?ng numbers into expressions and analyzing the results • Do “impossible” experiments: study (virtual) experiments, where the boundary condi?ons are inaccessible or not controllable • Benchmark correctness of models and theories: the be*er a model/theory reproduces known experimental results, the be*er its predic?ons Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 17 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

SW in Science Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 18 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC

What is High-Performance Compu?ng (HPC)? • Not a real defini?on, depends from the prospec?ve: – HPC is when I care how fast I get an answer – HPC is when I foresee my problem to get bigger and bigger • Thus HPC can happen on: – A worksta?on, desktop, laptop, smartphone! – A supercomputer – A Linux Cluster – A grid or a cloud – Cyberinfrastructure = any combina?on of the above • HPC means also High-Produc?vity Compu?ng Ivan Giro*o - igiro*o@ictp.it La?n America Introductory School to Parallel Programming 19 Abacus Cinvestav, 12 Feb 2018 and Parallel Architecture for HPC