E-Infrastructures H2020- INFRAEDI-2018-2020 INFRAEDI-01-2018: Pan-European High Performance Computing infrastructure and services (PRACE) PRACE-6IP PRACE Sixth Implementation Phase Project Grant Agreement Number: INFRAEDI-823767 D7.1 Periodic Report on Results from Projects Supported by Applications Enabling and Porting Services Final Version: 1.0 Author(s): Gabriel Hautreux, CINES; Chris Johnson, EPCC; Sebastian Lührs, JUELICH Date: 16.10.2020 D7.1 Periodic Report on Results from Projects Supported by Applications Enabling and Porting Services Project and Deliverable Information Sheet PRACE Project Project Ref. №: INFRAEDI-823767 Project Title: PRACE Sixth Implementation Phase Project Project Web Site: http://www.prace-project.eu Deliverable ID: D7.1 Deliverable Nature: Report Dissemination Level: Contractual Date of Delivery: PU* 30 / October / 2020 Actual Date of Delivery: 30 / October / 2020 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 2005/444/EC. Document Control Sheet Title: Periodic Report on Results from Projects Supported by Document Applications Enabling and Porting Services ID: D7.1 Version: <1.0> Status: Final Available at: http://www.prace-project.eu Software Tool: Microsoft Word 2016 File(s): D7.1.docx Written by: Gabriel Hautreux, CINES; Chris Johnson, Authorship EPCC; Sebastian Lührs, JUELICH Contributors: Adam Wlodarczyk, WCSS Ahmet Tuncer Durak, UHeM Anastasiia Shamakina, HLRS Andrew Emerson, CINECA Andrew Sunderland, STFC Claudio Domenico Arlandini, CINECA Cristian Morales, BSC Damian Podareanu, SURFSARA Engelbert Tijskens, UANTWERPEN Eric Pascolo, CINECA Eva Casoni, BSC Frédéric Pinel, UL Guillaume Houzeaux, BSC Isabelle Dupays, IDRIS Ivan Spisso, CINECA Jacob Finkenrath, CaSToRC Jing Gong, KTH Kübra Nari, UHeM PRACE-6IP- INFRAEDI-823767 i 16.10.2020 D7.1 Periodic Report on Results from Projects Supported by Applications Enabling and Porting Services Lilit Axner, KTH Karim Hasnaoui, IDRIS Kim Serradell, BSC Mariusz Uchronski, WCSS Massimiliano Guarrasi, CINECA Matej Spetko, IT4I Matjaz Subelj, UL Maxime Mogé, SURFSARA Milosz Bialczak, WCSS Miroslaw Kupczyk, PSNC Pedro Alberto, UC-LCA Pedro Ojeda May, SNIC-UU Ricard Borrell, BSC Stelios Erotokritou, CASTORC Stella Paronuzzi, BSC Tiziana Castriganò, CINECA Wahid Rofagha, PRACE aisbl Xu Guo, EPCC Reviewed by: Simone Bnà, CINECA Thomas Eickermann, JUELICH Approved by: MB/TB Document Status Sheet Version Date Status Comments 0.1 22/September/2020 Draft Initial draft and set up document structure 0.2 27/September/2020 Draft Included T7.1 and T7.5 0.3 30/September/2020 Draft Included T7.2 and T7.3 0.4 02/October/2020 Draft Draft finalisation 1.0 16/October/2020 Final Integration of reviewer remarks PRACE-6IP- INFRAEDI-823767 ii 16.10.2020 D7.1 Periodic Report on Results from Projects Supported by Applications Enabling and Porting Services Document Keywords Keywords: PRACE, HPC, Research Infrastructure, Preparatory Access, SHAPE, HLST 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° INFRAEDI-823767. 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 2020 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 INFRAEDI-823767 for reviewing and dissemination purposes. All trademarks and other rights on third party products mentioned in this document are acknowledged as own by the respective holders. PRACE-6IP- INFRAEDI-823767 iii 16.10.2020 D7.1 Periodic Report on Results from Projects Supported by Applications Enabling and Porting Services Table of Contents Project and Deliverable Information Sheet .................................................................................. i Document Control Sheet ................................................................................................................. i Document Status Sheet ................................................................................................................. ii Document Keywords .................................................................................................................... iii List of Figures ................................................................................................................................ vi List of Tables ................................................................................................................................ vii References and Applicable Documents .................................................................................... viii List of Acronyms and Abbreviations ........................................................................................... ix List of Project Partner Acronyms ................................................................................................. x Executive Summary ....................................................................................................................... 1 1 Introduction ............................................................................................................................. 3 2 T7.1 Applications Enabling Services for Preparatory Access ............................................ 5 2.1 Cut-off statistics ............................................................................................................... 5 2.2 Review Process ................................................................................................................. 7 2.3 Assigning of PRACE collaborators ................................................................................ 8 2.4 Monitoring of projects ..................................................................................................... 9 2.5 PA support in context of EaP connect ........................................................................... 9 2.6 PRACE Preparatory Access projects covered by this report .................................... 11 2.7 Dissemination ................................................................................................................. 17 2.8 Cut-off March 2017 ....................................................................................................... 17 2.8.1 Scalable Delft3D FM for efficient modelling of shallow water and transport processes, 2010PA3775 .......................................................................................................... 17 2.9 Cut-off June 2018 ........................................................................................................... 22 2.9.1 BiqBin solver, 2010PA4347 ..................................................................................... 22 2.10 Cut-off September 2018 ................................................................................................ 24 2.10.1 HOVE2 Higher-Order finite-volume unstructured grids, code enhancement for compressible turbulent flows, 2010PA4528 ........................................................................... 24 2.10.2 HPC Performance improvements for OpenFOAM linear solvers, 2010PA4548 .... 25 2.10.3 HPC-MetaShot: a multi-node implementation for metagenomics analysis, 2010PA4547 ............................................................................................................................ 28 2.11 Cut-off December 2018 ................................................................................................. 31 2.11.1 Accelerating a high order accurate CFD solver using GPUs, 2010PA4774 .......... 31 PRACE-6IP- INFRAEDI-823767 iv 16.10.2020 D7.1 Periodic Report on Results from Projects Supported by Applications Enabling and Porting Services 2.12 Cut-off March 2019 ....................................................................................................... 33 2.12.1 NEMO performance, 2010PA4821 .......................................................................... 33 2.13 Cut-off December 2019 ................................................................................................. 37 2.13.1 Intelligent HTC for Committor Analysis, 2010PA5236 ........................................... 37 3 T7.2 Applications Enabling Services for Industry ............................................................. 40 3.1 SHAPE Overview .......................................................................................................... 40 3.1.1 SHAPE Process ........................................................................................................ 42 3.1.2 Review of Applications ............................................................................................. 43 3.2 Increasing the number of participating countries: SHAPE+ ...................................