E-Infrastructures H2020-EINFRA-2014-2015 EINFRA-4-2014: Pan-European High Performance Computing Infrastructure and Services PRACE-4IP PRACE Fourth Implementation Phase Project Grant Agreement Number: EINFRA-653838 D7.3 Inventory of Exascale Tools and Techniques Final Version: 1.0 Author(s): Nicola Mc Donnell, ICHEC Date: 14.03.2016 D7.3 Inventory of Exascale Tools and Techniques Project and Deliverable Information Sheet PRACE Project Project Ref. №: EINFRA-653838 Project Title: PRACE Fourth Implementation Phase Project Project Web Site: http://www.prace-project.eu Deliverable ID: D7.3 Deliverable Nature: Report Dissemination Level: Contractual Date of Delivery: PU* 31 / March / 2016 Actual Date of Delivery: 31 / March / 2016 EC Project Officer: Leonardo Flores Añover * - The dissemination level are indicated as follows: PU – Public, CO – Confidential, only for members of the consortium (including the Commission Services) CL – Classified, as referred to in Commission Decision 2991/844/EC. Document Control Sheet Title: Inventory of Exascale Tools and Techniques Document ID: D7.3 Version: <1.0> Status: Final Available at: http://www.prace-project.eu Software Tool: Microsoft Word 2010 File(s): D7.3.docx Written by: Nicola Mc Donnell, ICHEC Authorship Contributors: Jan Christian Meyer, NTNU Stephane Lanteri, Inria Luc Giraud, Inria Cevdet Aykanat, Bilkent Kadir Akbudak, Bilkent Reha Oguz Selvitopi, Bilkent Mark Bull, EPCC Thomas Ponweiser, RISC Software/JKU Ruairi Short, ICHEC Emma Hogan, ICHEC Michael Lysaght, ICHEC Reviewed by: Enver Ozdemir, UHEM Thomas Eickermann, FZJ Approved by: MB/TB Document Status Sheet Version Date Status Comments 0.1 05/February/2016 Draft Initial version 0.2 08/March/2016 Draft First Complete Draft 0.3 09/March/2016 Draft Second Complete Draft PRACE-4IP - EINFRA-653838 i 14.03.2016 D7.3 Inventory of Exascale Tools and Techniques 0.4 09/March/2016 Draft For Internal Review 0.5 14/March/2016 Draft Post Internal Review updates. 1.0 14/March/2016 Final Final version Document Keywords Keywords: PRACE, HPC, Research Infrastructure, Centres of Excellence, Exascale, MPI, OpenMP, GPGPU, I/O Management. Disclaimer This deliverable has been prepared by the responsible Work Package of the Project in accordance with the Consortium Agreement and the Grant Agreement n° EINFRA-653838. It solely reflects the opinion of the parties to such agreements on a collective basis in the context of the Project and to the extent foreseen in such agreements. Please note that even though all participants to the Project are members of PRACE AISBL, this deliverable has not been approved by the Council of PRACE AISBL and therefore does not emanate from it nor should it be considered to reflect PRACE AISBL’s individual opinion. Copyright notices 2016 PRACE Consortium Partners. All rights reserved. This document is a project document of the PRACE project. All contents are reserved by default and may not be disclosed to third parties without the written consent of the PRACE partners, except as mandated by the European Commission contract EINFRA-653838 for reviewing and dissemination purposes. 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PRACE-4IP - EINFRA-653838 ii 14.03.2016 D7.3 Inventory of Exascale Tools and Techniques PRACE-4IP - EINFRA-653838 iii 14.03.2016 D7.3 Inventory of Exascale Tools and Techniques Table of Contents Project and Deliverable Information Sheet ......................................................................................... i Document Control Sheet ........................................................................................................................ i Document Status Sheet .......................................................................................................................... i Document Keywords ............................................................................................................................. ii Table of Contents ................................................................................................................................. iv List of Figures ....................................................................................................................................... iv List of Tables .......................................................................................................................................... v References and Applicable Documents ............................................................................................... v List of Acronyms and Abbreviations .................................................................................................. vi Executive Summary .............................................................................................................................. 1 Acknowledgements................................................................................................................................................ 4 1 Introduction .................................................................................................................................................. 4 2 Review across questionnaire sections .......................................................................................................... 5 2.1 General questions (codes & systems) .......................................................................................................... 5 2.2 Programming interfaces and standards ..................................................................................................... 8 2.3 Debuggers and Profilers ..............................................................................................................................10 2.4 Scalable Libraries and Algorithms ............................................................................................................11 2.5 IO Management Techniques .......................................................................................................................14 2.6 European Exascale Projects........................................................................................................................15 3 Review across CoEs .....................................................................................................................................16 3.1 BioExcel ........................................................................................................................................................16 3.2 CoeGSS .........................................................................................................................................................19 3.3 E-CAM .........................................................................................................................................................20 3.4 EoCoE ...........................................................................................................................................................22 3.5 ESiWACE .....................................................................................................................................................25 3.6 MaX ..............................................................................................................................................................31 3.7 NoMaD .........................................................................................................................................................33 3.8 POP ...............................................................................................................................................................34 4 Recommendations & Conclusions ..............................................................................................................35 5 Annex ............................................................................................................................................................38 5.1 Blank Questionnaire ....................................................................................................................................38 5.2 BioExcel Questionnaire ...............................................................................................................................46 5.3 CoeGSS Questionnaire ................................................................................................................................55 5.4 E-CAM Questionnaire ................................................................................................................................65 5.5 EoCoE Questionnaire ..................................................................................................................................75 5.6 ESiWACE Questionnaire ............................................................................................................................88 5.7 MaX Questionnaire ...................................................................................................................................102 5.8 NoMaD Questionnaire ..............................................................................................................................113 5.9 POP Questionnaire ....................................................................................................................................124 List of Figures Figure 1 Classifying the responses with respect to these categories results