PRACE: access to Tier-0 systems and enabling the access to ExaScale systems Dr. Sergi Girona Managing Director and Chair of the PRACE Board of

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1 PRACE: access to Tier-0 systems and enabling the access to ExaScale systems Dr. Sergi Girona Managing Director and Chair of the PRACE Board of Directors

2 PRACE aisbl, a persistent pan-european supercomputing infrastructure 25 members 4 hosting members: France, Germany, Italy and Spain Enables world-class science through large scale simulations Offers HPC services on leading edge capability systems Awards its resources through a single and fair pan-european peer review process for open research

3 PRACE History An Overview of a Success Story HPC part of the ESFRI Roadmap; creation of a vision involving 15 European countries Creation of the Scientific Case Signature of the MoU Creation of the PRACE AISBL the RI legal entity HPCEUR HET PRACE Initiative PRACE RI PRACE Preparatory Phase Project PRACE-1IP PRACE-3IP PRACE-4IP PRACE-2IP

4 PRACE at a glance, HPC services in Europe 530 M of funding for the period 25 member states, including 4 Hosting Members (France, Germany, Italy, Spain) 346 scientific projects enabled >9 billion core hours awarded since 2010 with peer review, scientific excellence as the main criteria 15 Pflop/s of peak performance on 6 world-class systems Open R&D access for industrial users 3000 people trained by 6 PRACE Advanced Training centers and others events

5 PRACE s Achievements in 4 years 346 projects and 9.2 thousand million core-hours awarded MareNostrum: IBM BSC, Barcelona, Spain Universe Sciences 21% Mathematics and Computer Sciences 4% BioChemistry, Bioinformatics and Life Sciences 13% Chemical Sciences and Materials 21% JUQUEEN: IBM BlueGene/Q GAUSS/FZJ Jülich, Germany CURIE: Bull Bullx GENCI/CEA Bruyères-le-Châtel, France Fundamental Physics 18% Engineering and Energy 13% Earth System Sciences 10% SuperMUC: IBM GAUSS/LRZ Garching, Germany HERMIT: Cray GAUSS/HLRS, Stuttgart, Germany FERMI: IBM BlueGene/Q CINECA, Bologna, Italy

6 Climate 144 million core hours on Hermit (DE) for UK PRACE will give to UK Met a 3 years advance in the development of high resolution global weather & climate models. Astrophysics Energy Chemistry Seismology Life Sciences 300 million core hours: 200 on CURIE (FR) on SuperMUC (DE) for DE 30 million core hours on SuperMUC (DE) for Finland 59,8 million core hours on JUQUEEN (DE) for Switzerland 53.4 million core hours on SuperMUC (DE) for Italy PRACE resources enable the 1st European comparison of first-principles simulations to multi-scale experimental data for fusion energy The goal: catching CO2 in a solvent, making the exhausts cleaner and reducing the cost of regenerating the solvent by optimizing the regeneration process. 56 million core hours on CURIE (FR) and 82 million core hours on SuperMuc for FR PRACE resources are used to explore the nonlinearity involved in the dependence of local ground shaking on geological structure. Research on supernovae and heavy chemical elements. This PRACE grant is one of the biggest worldwide allocation in this domain. Research on nervous impulses to contribute to the design of drugs that will modulate their activity. 30 times larger than a typical allocation.

7 PRACE peer-review access Free-of-charge, need to publish results at the end of the award period Scientific Excellence Types of resource allocations for scientists Project Access (every 6 months) For a specific project, award period ~ 1 to 3 years For individual researchers and research groups (no restriction of nationality for both researcher and centre) Requires to demonstrate technical feasibility of project Preparatory Access Optionally with support from PRACE experts Prepare proposals for Project Access

8 Preparatory Access Permanently open with quarterly cut-off dates (03/06/09/12) Intended to prepare proposals for Project Access Open for scientists, researchers or industrials Not open for production runs nor research activities Testing scalability: Type A, allocation for 2 months Code development or optimisation: Type B, allocation for 6 months Type C, allocation for 6 months, with PRACE experts support Fixed amount of resources, depending on the system A final report is required by the end of the allocation

9 Fast allocations - Technical review only Evaluation process lasts for 6 working weeks only Eligibility check + applicants corrections Technical review Evaluation and BoD decision Letters sent to applicants approx. 1 month after the cut off date Start date of awarded projects approx. 45 days after the cut-off date Preparatory Access type C awarded 19 in 2011, 14 in 2012, 40 in 2013*, 8 in 2014

10 Duration and awarded Resources per type of Preparatory Access (2014) Type A 2 months Type B/C 6 months Curie FN/TN Curie H CPU GPU CPU GPU Hermit CPU CPU FERMI CPU CPU JUQUEEN CPU CPU MareNostrum MareNostrum H CPU MIC CPU MIC SuperMUC CPU CPU

11 Scientific achievements: examples using GPU " DEVELOPING NANO DEVICES Exploring structural properties of new materials for next gen transistors QUAntum SImula.on of ul.mate NanO- devices Use of the TB_Sim code on up to 288 GPUs Fortran/C,MPI+ CUDA, use of cublas & Magma Up to 16x gain using GPUs vs standard x million GPU hours! on CURIE hybrid (France)!!! 12/09/2014 UNDERSTANDING OUR UNIVERSE Assess the crea.on of magne.c fields generated by self excited dynamos Magnetohydrodynamics Parody code, MPI + CUDA Up to 30x gain using CPUs vs standard x million GPU hours! on CURIE hybrid (France)!!

12 Scientific achievements: examples using GPU " UNDERSTANDING EXTREME CLIMATE EVENTS TWISTER : Large- Eddy Simula.on of tornado forma.on by a supercell (thunderstorm) learn more about the inner (thermo- )dynamical structure of tornadoes GALES code with a solver fully resident on GPU C++, MPI/CUDA with use of CUFFT Use of a preparatory access for early tuning on CURIE 0.5 M GPU hours equivalent to 100M core hours on BG/P 0.5 million GPU hours! on CURIE hybrid (France)!!!

13 Scientific achievements: preparatory access using MIC Scalability of turbulent jet simulations Carlos B. da Silva, Instituto Superior Técnico, Lisboa Engineering and Energy hour, type A Performance and accuracy of the linear-scaling DFT method applied to a complex metal oxide surface Ruben Perez, Universidad Autónoma de Madrid Chemistry and Materials hour, type A Atomistic simulations of heterogeneous media on the Intel Xeon Phi Daniele Coslovich, Universite Montpellier 2, France Fundamental Physics hour, type B Aerodynamic characterization of swirling flows in combustors Teresa Parra, Universidad de Valladolid Engineering and Energy hour, type B High performance computation for short read alignment Paul Walsh, NSilico Life Science Ltd, Cork, Ireland Medicine and Life Sciences hours, type C 13

14 PRACE GPU and MIC code enabling Supported by PRACE xip projects Benefited from support of PRACE experts in EU 25 countries Code enabling activities Work between PRACE experts and single code owners to communities Code enabling from kernel to a full application Duration between 6 months (Preparatory Access type C) to 2-3 years (code enabling on community codes : climate, astrophysics, materials, ) New specific activity on Intel MIC (23 applications tested/enabled) Continuous Evaluation of programming models : RapidMind, CUDA, OpenACC, OpenHMPP, OmpSs, OpenCL, OpenMP, Assessment of heterogeneous and autotuned runtime systems : Nanos++, StarPU, All materials (deliverables, white papers) free available :

15 PRACE Training on GPU and manycore 6 PATC (PRACE Advanced Training Centers) established Between Aug 2008 to March 2014 : 9079 person-days training delivered Benefiting to 2874 people in Europe 71 different courses in 2013, similar activity forecasted in 2014 Specific trainings sessions on GPU and manycore 04 Jun - 05 Jun : Programming the Xeon EPCC 02 Jun - 06 Jun : Introduction to CUDA BSC October 2014: Introduction to CSC December 2014: Programming on May: Heterogeneous Programming on GPUs with MPI + BSC Information and materials available :

16 PRACE prototyping on GPU and manycore PRACE xip assessment of technologies for future multi- Petaflop/s systems 22 Prototypes: CPUs, Accelerators, I/O, Cooling, Programming models focus on energy efficiency Benefits For PRACE Partners: gain insight for future procurements For technology providers: get feedback on usability and user requirements For Users: get early access to future architectures For the HPC Community : get access to all results published as white papers è useful as inputs for some Tier1 or Tier2 All materials (deliverables, white papers) free available :

17 PRACE Prototyping Brief History PRACE Preparatory Phase ( ) Prototypes for the upcoming Tier-0 system [4.4 M, 5 prototypes] Prototypes for multi-petaflop/s technologies [2.4 M, 8 prototypes] PRACE-1IP ( ) Systems and components for future highly energy efficient multi- Petascale system architectures [4.8 M, 8 prototypes] PRACE-2IP ( ) Complement PRACE-1IP prototypes (new accelerators and direct liquid cooling) [2.2 M, 3 prototypes] PRACE-3IP ( ) PCP on Whole system design for energy efficient HPC 9 M for 5 development contracts leading to at least 2 prototypes 12/09/2014

18 Software and Scalability PRACE -1 IP PRACE PP GPGPU virtualization SGI UV, ICE Compute Node Alternatives Hybrid CPU/ GPU ARM Accelerators and programming models (Cell, GPU, Clearspeed, LRB) FPGA and DSP Power Consumption Direct Liquid Free Cooling SSD Tier-0 Exascale Challenge NUMA-CIC Exascale I/O MPP I/O I/O and Memory Resilience

19 Software and Scalability PRACE-1P and 2IP 2012 Compute Node Alternatives EURORA Scalable Hybrid CPU/GPU Power Consumption SHAVE- PRACE ARM +GPU PRACE - 1 IP GPGPU virtualization Hybrid CPU/GPU ARM Direct Liquid Free Cooling GPU SSD AMFT Tier-0 Exascale Challenge I/O and Memory Resilience

20 EoI Big Data 33 proposals from 8 scientific domains Earth Sciences and Universe Sciences have the biggest need for long-term access to data and extensive computing resources Storage need in general: Tb, but a few projects reach the Pb level. 5 years access to stored data. First with embargo on data, later on Open Access for the Scientific community A PRACE Big Data policy would help to deploy the full scientific potential of Tier-0 simulations

21 Centres of Excellence for computing applications Provision of services such as: developing, optimising (including if needed re-design) and scaling HPC application codes towards Peta and ExaScale computing; Working in synergy with the pan-european HPC infrastructure, including by identifying suitable applications for co-design activities relevant to the development of HPC technologies towards ExaScale. H2020 WP EINFRA Centres of Excellence for computing applications

22 Summary of PRACE offer HPC services on leading edge capability systems Preparatory access for code enabling Training, including new technologies Prototyping new technologies Big Data policy for HPC users Cooperation with stakeholders Centres of Excellence

23 Thanks for your attention If you have any further questions, don t hesitate to contact me. director@prace-ri.eu