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This newsletter gives an overview of the HPC-Europa3 programme, some testimonials from visitors, and more!

TAM2020: Mixed feelings of sadness and enthusiasm among HPC-Europa3 visitors

The second HPC-Europa3 TAM was held on 22nd-23rd October 2020 – online, rather than face to face as originally planned, due to the COVID-19 pandemic and the mobility restrictions imposed worldwide. A sense of mixed feelings defined the event: participants were sad because of the impossibility of meeting face-to-face, but also enthusiastic about the opportunity of presenting their work undertaken in the framework of the HPC-Europa3 programme.
The event, organised by BSC, was originally due to take place in Barcelona in March 2020. However, it finally had to be changed to an online event. While this meeting format does not allow the same networking opportunities as a face-to-face meeting, it does have the advantage that it can be opened up to many more attendees. Over 100 people registered for the event, while attendance would normally be limited to around 40. Over the two days, 21 former visitors gave talks, and a further 9 presented posters. TAM2020 was also present in Twitter through the programme account @HPCEuropa3 and the hashtag #TAM20.



Besides the advances presented by the programme visitors in many different fields of research, including computer sciences, computational chemistry, astrophysics, bioinformatics, ecology and material sciences, TAM2020 demonstrated the extent to which these young researchers feel grateful to their hosts. Whether the key outcome of the visit was a scientific publication, an opportunity for a future job, gaining a specific new HPC skill, or even a friendship, all of the visitors issued words of thanks to their host labs and institutions.
In the feedbacks received from participants after the event, most of the responders strongly agree that the conference met their expectations, and some provided interesting hints to improve in the future.
All slides, posters, the book of abstracts and the recordings of the talks will be available in due course from https://www.hpc-europa.org/2ndTAM.  
 

Best talk award winner: Martí López, from University of Barcelona (Spain).
  “Insights of the CO2 adsorption on doped TiC”




Marti is a Ph.D. student within the “Institut de Química Teórica i Computacional” of the University of Barcelona, Spain, working under the supervision of Profs. Francesc Illas and Francesc Viñes. His PhD study focuses on theoretical green chemistry using transition metal carbides as catalysts, oriented at the CO2 batement and hydrogen dissociation and evolution reaction, as well over the new 2D materials, MXenes.
Best poster award winner: Meilani Wibowo, University of Nottingham (UK).
“Combined RAS-srDFT for the study of electron transfer processes”.




Meilani graduated from the University of Valencia with an MSc degree (Premio Extraordinario) in 2015. In 2019 she obtained a PhD (double degree) under the supervision of Prof. Ria Broer and Prof. Maurizio Persico from the University of Groningen and University of Pisa, for the study of computational modelling of singlet fission from the static picture to fission dynamics. In 2019 she took up a research fellow position at the University of Nottingham (UK), with Dr. A.M. Teale working on the development and application of the real-time time-dependent electronic structure methods in strong magnetic fields.
 

Visit us: CINECA

CINECA is a non profit Consortium, made up of 69 Italian universities, 21 Italian National Institutions, and the Italian Ministry of Education. Today it is the largest Italian computing centre, one of the most important worldwide. With more than seven hundred employees, it operates in the technological transfer sector through high performance scientific computing, the management and development of networks and web based services, and the development of complex information systems for treating large amounts of data.
The mission of the HPC department is to accelerate the scientific discovery by providing high performance computing resources, data management and storage systems and tools and HPC services and expertise at large, aiming to develop and promote technical and scientific services related to high-performance computing for the Italian and European research community.
Cineca is currently one of the Large Scale Facilities in Europe and it is a PRACE Tier-0 hosting site.
  • MARCONI: It is the Tier-0 system that replaced FERMI in July 2016. It is based on the LENOVO NeXtScale platform and the next generation of the Intel Xeon Phi product family. It has been gradually upgraded from June 2016. The actual configuration consists of Marconi-A3 with SkyLake (in production since August 2017, upgraded in January 2018 and completed in November 2018). In a previous configuration phase, Marconi had two additional partitions: Marconi-A1 with Intel Broadwell, into production since July 2016, closed in September 2018, and Marconi-A2 with Intel KnightsLanding into production since January 2017, closed in January 2020. Marconi is classified in Top500 list among the most powerful supercomputer:  rank 12 in November 2016, and rank 19 in the November 2018 list.
  • MARCONI100:  It is the new accelerated not conventional Marconi partition available from April 2020. This is an IBM system equipped with NVIDIA Volta V100GPUs, opening the way to the accelerated pre-exascale Leonardo supercomputer. 
  • GALILEO: It has been renewed in March 2018 with Intel Xeon E5-2697 v4 (Broadwell) nodes, available for the Italian research community.
  • CLOUD.HPC: CINECA cloud service has been renewed in April 2020 with Intel E5-2697 v4 (Broadwell) nodes, completing the HPC ecosystem. 

CINECA enables world-class scientific research by operating and supporting leading-edge supercomputing technologies and by managing a state-of-the-art and effective environment for the different scientific communities. The HPC staff offers support and consultancy in tools and techniques and in several scientific domains, such as physics, particle physics, material sciences, chemistry.  Cineca is currently:
  • a CUDA Research Center, based on the vision, quality, and impact of its research leveraging GPU technology;
  • an Intel® Parallel Computing Center, to accelerate the creation of open standard, portable and scalable parallel applications by combining computational science, hardware, programmer tools, compilers and libraries, with domain knowledge and expertise. Specific focus of Cineca in this action is Quantum Espresso and SPECFEM3D;
  • one of the PRACE PATCs (PRACE Advanced Training Centres), to carry out and coordinate training and education activities that enable the European research community to utilise the computational infrastructure available through PRACE.

Important dates

  • Next call for applicants! Apply now! 18th of February 2021
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