We had a great time at the EuroHPC User Day 2024 in Amsterdam earlier this week. Both MultiXscale and EESSI were strongly represented, and the work we have been doing was clearly being appreciated. Find more details about MultiXscale participation on this event at the EESSI blog here
MultiXscale CoE will be involved in two sessions at the EuroHPC User Day 2024 in Amsterdam: More information available here
Our coordinator, Matej Praprotnik from Kemijski inštitut – National Institute of Chemistry, was invited to present MultiXscale CoE at the OpenModel Exploitation Workshop, on 18 September, in Hamburg (Germany). During the event, OpenModel partners presented various project components developed for running workflows, which included interactive demos and real-world success stories. OpenModel is an integrated open access materials modelling innovation platform for Europe. Its primary goal is to design, create, provide, and maintain a sustainable platform that seamlessly integrates third-party physics-based models, solvers, post-processors, and databases.
The poster session of the ESPResSo summer school is a great opportunity to present your research and engage in meaningful discussions with soft matter experts and ESPResSo/waLBerla/pyMBE developers. It serves not only as a platform to present your work to your peers but also as a chance to network, gather feedback, and foster collaborations that can extend well beyond the duration of the event. Everyone bringing a poster is invited to present it in a 1 minute lightning talk during the poster session. The poster boards will remain up for the entire duration of the school. The school will focus on coarse-grained and lattice-based simulations methods to model soft matter systems at mesoscopic length and time scales. We will simulate coarse-grained ionic liquids in electrolytic capacitors, coarse-grained liquids with machine-learned effective potentials, polymer diffusion, hydrodynamic interactions via the lattice-Boltzmann method, and electrokinetics and catalysis with diffusion-advection-reaction solvers. Lectures will provide an introduction to the physics and simulation model building as well as an overview of the necessary simulation algorithms to resolve physical processes at different time scales. During the afternoon, students will practice running their own simulations in hands-on sessions using ESPResSo and waLBerla. Time will be dedicated to research talks and poster sessions. Invited speakers: We invite all interested to attend the ESPResSo summer school “Simulating soft matter across scales” on October 7-11, 2024, University of Stuttgart, Germany. Attendance to the summer school is free of charge. To register, go to https://www.cecam.org/workshop-details/1324 and write a short motivation and CV. You can submit a poster abstract until September 27th, 2024.
EuroCC Austria and Slovenia are organizing an exciting Sprint Training Event: Introduction to EESSI – European Environment for Scientific Software Installations, together with CoE MultiXscale on 4 October 2024. The European Environment for Scientific Software Installations (EESSI – pronounced “easy”) is a common stack of scientific software for HPC systems and beyond, including laptops, personal workstations, and cloud infrastructure. In many ways it works like a streaming service for scientific software, instantly giving you the software you need, when you need it, and compiled to work efficiently for the architecture you have access to. In this 2-hour online workshop, we’ll explain what EESSI is, how it is being designed, how to get access to it, and how to use it. We’ll give a number of demonstrations and you can try EESSI out yourself. Lecturers Course event page: https://events.vsc.ac.at/e/EESSI-2024-10 Registration: https://events.vsc.ac.at/event/141/registrations/137/
The recording and presentation of the talk “Streaming scientific software has never been so EESSI”, by Alan O’Cais, at HPCKP’24 Barcelona are already available online here: Abstract: Have you ever wished that all the scientific software you use was available on all the resources you had access to without having to go through the pain of getting them installed the way you want/need? The European Environment for Scientific Software Installations (EESSI – pronounced “easy”) is a common stack of scientific software installations for HPC systems and beyond, including laptops, personal workstations and cloud infrastructure. In many ways it works like a streaming service for scientific software, instantly giving you the software you need, when you need it, and compiled to work efficiently for the architecture you have access to. In this talk, we’ll explain what EESSI is, how it is being designed, how to get access to it, and how to use it. We’ll include a number of demonstrations and review significant developments of the last 12 months (including support for NVIDIA GPUs, and active development for RISC-V systems). Download PDF
New Paper available at Faraday Discussions Journal: “Investigating the effect of particle size distribution and complex exchange dynamics on NMR spectra of ions diffusing in disordered porous carbons through a mesoscopic model”. The document is accesible for download here. The poster was recently presented at CECAM workshop: “Electrochemical Interfaces in Energy Storage: Advances in Simulations, Methods and Models”, carried out in CECAM-HQ-EPFL, Lausanne (Switzerland), from 18 to 21 June 20024.
Our coordinator, Matej Praprotnik, gave a talk and presented MultiXscale poster at the Austrian-Slovenian HPC Meeting 2024 – ASHPC24. He also chairs the Program committee. The event was carried out at Seeblickhotel Grundlsee (Austria) from 11-13 June 2024. ASHPC24 was organized by EuroCC Austria – National Competence Centre for Supercomputing, Big Data and Artificial Intelligence, Austria and EuroCC Slovenia in cooperation with the Vienna Scientific Cluster (VSC), Austria; the Research Area Scientific Computing in Innsbruck, Austria and the Slovenian consortium for high performance computing (SLING). Further information is available online here: https://www.ashpc.at/
MultiXscale CoE contributed with a poster at the 4th Baltic HPC and Cloud Computing Conference, carried out in Riga (Latvia), from 11 to 12 April 2024. Historically, the conference was organized by Riga Technical University, HPCEuropa3 project, University of Tartu, and KTH Royal Institute of Technology. Since the development of National HPC Competence centres (NCCs) all over the Europe, the 4th Baltic HPC and Cloud Computing Conference was organized by six NCCs located near the Baltic sea region: Latvia, Estonia, Lithuania, Sweden, Finland, and Denmark. The recordings from the conference are published on EuroCC-Latvia “SuperS” YouTube channel here.
During the week of 18-21 March 2024, the EuroHPC community will be gathering the Antwerp (Belgium) for the EuroHPC Summit. Partners of the MultiXscale EuroHPC Centre-of-Excellence are actively involved with various aspects of the program. On the first day, the EESSI shared software stack will be showcased during the EuroHPC Demo Lab session of Vega. Pass by on Monday 18 March’24 (15:30-18:00) to witness a hands-on demonstration of how ESPResSo, which is one of the key applications in MultiXscale included in EESSI, can be used on Vega to simulate charged particles confined between two plates of a capacitor with a potential difference. MultiXscale will be featured in the “Centres of Excellence: Deploying Flagship Codes on EuroHPC Supercomputers” session on Tuesday 19 March’24 (11:30-13:00). Join the session to learn how the technical work we are doing can facilitate CI/CD for EuroHPC systems. Later on Tuesday, a poster on MultiXscale will be presented during the first poster session (14:15-15:15). Come visit us, and take home some stickers as a gift! Finally, we will also be actively involved in the “Elevate and Collaborate: European HPC NCCs and CoEs Workshop” on Thursday 21 March’24 (14:00-18:00), in the “Fishbowl” and “Success stories” sessions. We look forward to lots of interesting discussions, see you in Antwerp next week!
