Program

Monday, May 31, 2021

8:30 JOIN IN
9:00 OC & PC WELCOME Welcome talks to ASHPC21 online (by chairs: Zoran Ren, Davor Bračko, Claudia Blaas-Schenner)
9:15 Chair: Christoph Dellago Topic Materials science / materials discovery
9:15 Nicola Marzari KEYNOTE Materials discovery at the intersection between high-performance and high-throughput ...
10:00 Santanu Saha Exploring B-C phase diagram using Crystal Structure and High-Throughput Screening ...
10:20 Soner Steiner DFT simulation of the physical properties of the newly discovered borides Mn3−x{Rh,Ir}5B2 ...
10:40 - 11:00 BREAK
11:00 Chair: Siegfried Höfinger Topic    Running and using HPC clusters efficiently
11:00 Jan Eitzinger ClusterCockpit — A web application for job-specific performance monitoring
11:20 Alois Schlögl Managing Software on a heterogenous HPC cluster
11:40 Vladislav Kashansky Automated Workflows Scheduling via Two-Phase Event-based MILP Heurisitc for MRCPSP ...
12:00 - 13:00 LUNCH
13:00 POSTERS   Poster Session    
 P 1. Hermann Schwärzler Poster         Embarrassingly Parallel: mothur’s pairwise.seqs is a Case in Point
 P 2. Blaž Stres Poster Metagenomics data analysis software: trouble in HPC paradise
 P 3. Thomas Klammsteiner Poster How high-performance computing brings our understanding of insect-based gut microbiomes ...  P 5. Soner Steiner Poster The effect of magnetism to the elastic constants in the the high entropy alloy CoCrFeMnNi
 P 4. Leon Deutsch Poster HPC in biomed: from bacterial taxonomy to functional gene microbiology and machine learning
 P 3. Thomas Klammsteiner Poster How high-performance computing brings our understanding of insect-based gut microbiomes ...  P 5. Soner Steiner Poster The effect of magnetism to the elastic constants in the the high entropy alloy CoCrFeMnNi
 P 6. Lorenz Romaner Poster Hybrid approaches for DFT simulations of crystallographic defects for physical metallurgy applications
13:30 Chair: Andrej Filipčič Topic Climate and EuroHPC & EuroCC
13:30 Emily Collier Exploiting kilometer-scale grid spacing for climate simulations over the Himalayas and...
13:50 Bastian Koller KEYNOTE Strengthening the European HPC ecosystem - strategy, technology, synergies
14:25 Damjan Harisch Slovenian National Competence Centre HPC
14:40 Markus Stöhr Introducing EuroCC Austria
14:55 short break
15:00 Chair: Andrej Filipčič Q & A EuroHPC & EuroCC with: Bastian Koller, Damjan Harisch, Jan Jona Javoršek, Markus Stöhr, Christoph Dellago, Andrej Filipčič
16:00 END

Tuesday, June 1, 2021

8:30 JOIN IN
9:00 Chair: Janez Povh        Topic Molecular simulation
9:00 Matej Praprotnik KEYNOTE Multiscale simulations of open molecular systems
9:45 Jernej Stare Scientific computing at National Institute of Chemistry: Elucidation of the driving force ...
10:05 Thomas Stockner Using MD simulations to study the occlusion of the neurotransmitter serotonin by SERT ...
10:20 Blaž Kamenik Multilevel computational modeling of freeze-drying
10:45 - 11:00 BREAK
11:00 Chair: Siegfried Höfinger    Topic          Facilitating HPC access for our users
11:00 Miran Ulbin Web-based user interface to SLURM
11:20 Florian Goldenberg A jupyterhub at the Vienna Scientific Cluster
11:40 Soner Steiner Presenting the jupyterhub at Vienna Scientific Cluster ...                                                                                
12:00 - 13:00 LUNCH
13:00 Chair: Christoph Dellago Topic      HPC Training & Education
13:00 Pavel Tomšič Erasmus+ project: SCtrain
13:15 Chair: Christoph Dellago Q & A HPC Training & Education with: Pavel Tomšič, Claudia Blaas-Schenner, Christoph Dellago, et al
13:30 Chair: Zoran Ren                Topic EuroHPC systems available (soon)
13:30 Mirko Cestari KEYNOTE Leonardo precusor of exascale system hosted in Italian Big Data Technopole                                   
14:15 Dejan Valh KEYNOTE HPC Vega
15:00 - 15:15 BREAK
15:15 Chair: Ernst Haunschmid Topic Vienna Scientific Cluster (VSC)
15:15 Jan Zabloudil The Immersion Cooled VSC-3 – an Obituary
15:30 Herbert Störi VSC-5 and Beyond — a Peek Preview
15:45 Chair: Ernst Haunschmid                 Q & A           VSC with: Herbert Störi, Christoph Dellago, Alexander Ostermann, Jan Zabloudil, Markus Stöhr, Dieter Kvasnicka, Ernst Haunschmid
16:00 END

Wednesday, June 2, 2021

8:30 JOIN IN
9:00 Chair: Zoran Ren Topic HPC & Industry
9:00 Tomi Ilijaš KEYNOTE Is your company ready to benefit from HPC services and lift to Industry 4.0?
9:45   Maruška Čuš                     Digital Innovation Hub facilitating the supporting environment for HPC services                              
10:05   Kenneth Tan                     Bioinformatic Cloud: scalable, flexible and secure                              
10:05 - 10:20 BREAK
10:20 Chair: Janez Povh           Topic         HPC fundamentals
10:20 Josef Weinbub Evaluating Parallel Feature Detection Methods for Implicit Surfaces
10:40 Sascha Hunold An In-Depth Analysis of MPI Collectives or Why MPI Introspection is Needed                                  
11:00 - 11:20 BREAK
11:20 Chair: Eduard Reiter      Topic          HPC heart
11:20 Mojgan Ghodrati Effect of left atrial appendage occlusion on thromboembolic risk under mechanical circulatory …
11:40 Elias Karabelas Incorporating Heart Valves Using a Varying Permeability Approach
12:00 - 13:00 LUNCH
13:00 Chair: Alexander Ostermann Topic     Big Data & AI
13:00 Aleš Zamuda Parallelization of Benchmarking using HPC: Text Summarization in Natural Language ...
13:20 Rok Hribar Clustering scientific bibliographic data with symmetric orthogonal matrix tri-factorization
13:40 Giovanna Roda       Big Data on the Vienna Scientific Cluster
14:00 - 14:20 BREAK
14:20 Chair: Andrej Filipčič     Topic High-energy physics
14:20 Jakob Novak Uncovering new physics with vector boson scattering
14:40 Martin Schwinzerl Optimising Parallel Performance In Beam-Dynamics Simulations
15:00 Ivona Vasileska Task based parallelisation of the Particle-In-Cell codes
15:20 Chair: Andrej Filipčič CLOSING Farewell and thank you for attending ASHPC21 with: Andrej Filipčič and outlook towards 2022
16:00 END