MODULAR SUPERCOMPUTING AND QUANTUM COMPUTING

FACULTY 12, COMPUTER SCIENCE AND MATHEMATICS

CAMPUS BOCKENHEIM

Publications

2024

> Intracellular “In Silico Microscopes” — Comprehensive 3D Spatio-Temporal Virus Replication Model Simulations

M. M. Knodel, A. Nägel, E. Herrmann and G. Wittum

Spatio-Temporal Virus Replication Model Simulations. Viruses 2024, 16, 840

DOI: https://doi.org/10.3390/v16060840

> Quantitative Whole-Body Muscle MRI in Idiopathic Inflammatory Myopathies including Polymyositis with Mitochondrial Pathology: Indications for a Disease Spectrum

L. Zierer, S. Naegel, I. Schneider, T. Kendzierski, K. Kleeberg, A. K. Koelsch, L. Scholle, C. Schaefer, A. Naegel, S. Zierz, M. Otto, G. Stoltenburg-Didinger, T. Kraya, D. Stoevesandt & Al. Mensch

Journal of Neurology (2024)

DOI: https://doi.org/10.1007/s00415-024-12191-w

2023

>Characterization of Large-Scale HPC Workloads With Non-Naïve I/O Roofline Modeling and Scoring

Z. Zhu and S. Neuwirth

29th IEEE International Conference on Parallel and Distributed Systems (ICPADS 2023) (accepted for publication)

> Toward Reproducible Benchmarking of PGAS and MPI Communication Schemes

N. Bartelheimer and S. Neuwirth

29th IEEE International Conference on Parallel and Distributed Systems (ICPADS 2023) (accepted for publication)

> An I/O Performance Evaluation of Varying CephFS Striping Patterns

D. Biswas, S. NeuwirthA.K. Paul, A. R. Butt

3rd Workshop on Re-envisioning Extreme-Scale I/O for Emerging Hybrid HPC Workloads (REX-IO 2023), to be held in

conjunction with IEEE CLUSTER 2023 (accepted for publication)

> Modeling The Impact of System-level Parameters on I/O Performance of HPC Applications

D. Biswas, A.K. Paul, S. Neuwirth, A. R. Butt

Short paper, 31st International Symposium on the Modeling, Analysis, and Simulation of Computer and Telecommunication Systems (MASCOTS 2023) (accepted for publication)

> Leveraging HPC Performance Engineering to Support Exascale Scientific Discovery [Slides]

S. Neuwirth

Keynote talk, Platform for Advanced Scientific Computing (PASC’23) Conference 

> Toward the Integration of Quantum Processors into the Modular Supercomputing Architecture [Poster]

P. Döbler*S. Neuwirth*, and Th. Lippert

Research Poster, ISC High Performance Conference 2023 (ISC23)

DOI: http://dx.doi.org/10.13140/RG.2.2.16124.51844
*Authors contributed equally.

> MAWA-HPC: Modular and Automated Workload Analysis for HPC Systems [Poster]

Z. Zhu*N. Bartelheimer*, and S. Neuwirth*

Research Poster, ISC High Performance Conference 2023 (ISC23)

DOI: http://dx.doi.org/10.13140/RG.2.2.10671.92325
*Authors contributed equally.

> An Empirical Roofline Model for Extreme-Scale I/O Workload Analysis

Z. ZhuN. Bartelheimer, and S. Neuwirth

4th Workshop on on Extreme-Scale Storage and Analysis (ESSA’23), held in conjunction with IPDPS’23

DOI: https://doi.org/10.1109/IPDPSW59300.2023.00106

> Toward a Modular Workflow for Network Performance Characterization

N. BartelheimerZ. Zhu, and S. Neuwirth

25th Workshop on Advances in Parallel and Distributed Computational Models (APDCM’23), held in conjunction with IPDPS’23

DOI: https://doi.org/10.1109/IPDPSW59300.2023.00062 

> Einstein–Podolsky–Rosen–Bohm experiments: A discrete data driven approach

H. De Raedt, M. I. Katsnelson, M. S. Jattana, V. Mehta, M. Willsch, D. Willsch, K. Michielsen, F. Jin

Annals of Physics, Volume 453

DOI: https://doi.org/10.1016/j.aop.2023.169314

> Transdermal and Lateral Effective Diffusivities for Drug Transport in Stratum Corneum from a Microscopic Anisotropic Diffusion Model

Junxi Wang, Johannes M. Nitsche, Gerald B. Kasting, Gabriel Wittum, Arne Nägel

European Journal of Pharmaceutics and Biopharmaceutics

DOI: https://doi.org/10.1016/j.ejpb.2023.01.025

2022

> An efficient algorithm for biomechanical problems based on a fully implicit nested Newton solver

Markus M. Knodel, Salvatore di Stefano, Arne Nägel, Alfio Grillo

Theoretical and Applied Mechanics, 2022, Volume 49, Issue 2, Pages: 183-221

DOI: https://doi.org/10.2298/TAM221115012K

> Bridging the Gap between Education and Research: A Retrospective on Simulating an HPC Conference [Slides]

S. Neuwirth

2022 IEEE/ACM International Workshop on Education for High-Performance Computing (EduHPC-22), held in conjunction with SC22

DOI: https://doi.org/10.1109/EduHPC56719.2022.00010

> Toward Embracing Different Perspectives on the Lustre File System [Slides]

S. Neuwirth

Invited talk, Lustre Workshop at DKRZ, Hamburg, Germany, 2022

> Assessment of the I/O and Storage Subsystem in Modular Supercomputing Architectures [Slides]

S. Neuwirth

2022 IEEE International Conference on Cluster Computing (CLUSTER)

DOI: https://doi.org/10.1109/CLUSTER51413.2022.00077

> A Comprehensive I/O Knowledge Cycle for Modular and Automated HPC Workload Analysis [Slides]

Z. ZhuS. Neuwirth, and Th. Lippert

2022 IEEE International Conference on Cluster Computing (CLUSTER)

DOI: https://doi.org/10.1109/CLUSTER51413.2022.00076

> Modular Supercomputing and its Role in Europe’s Exascale Computing Strategy [Slides]

S. Neuwirth

Plenary Talk and Review Paper, 39th International Symposium on Lattice Field Theory (Lattice 2022)

DOI: https://doi.org/10.22323/1.430.0245

> Extreme-scale I/O and Storage Resources in Heterogeneous Modular Supercomputing Architectures [Slides]

S. Neuwirth

Expert talk, Minisymposium “Storage Systems at Extreme Scale for Data-Centric Workflows”, Platform for Advanced Scientific

Computing (PASC’22) Conference 

> Extreme-scale I/O and Storage Infrastructures in Heterogeneous Modular Supercomputing Architectures [Slides]

S. Neuwirth

Expert talk, HPC I/O in the Data Center Workshop (HPC-IODC 2022), held in conjunction with ISC High Performance

Conference 2022 (ISC22) 

> Modular Supercomputing Research at the Leading Edge [Slides]

S. Neuwirth

Invited talk, Opening Ceremony of the HAICGU Cluster at Goethe University, Frankfurt, Germany, 2022 

2021

> Evaluating and Characterizing Parallel I/O in HPC Systems: Best Practices and Future Directions [Slides]

S. Neuwirth

Invited talk, CHPC National Conference 2021 (CHPC ’21) 

> Porting Applications to a Modular Supercomputer – Experiences from the DEEP-EST Project

A. Kreuzer, Th. Lippert, E. Suarez, and N. Eicker

Book, ISBN: 978-3-95806-590-1, http://hdl.handle.net/2128/30498. Jülich Supercomputing Center, 2021

> Bridging Network and Parallel I/O Research for Improving Data-Intensive Distributed Applications

D. Biswas, S. Neuwirth, A. K. Paul, and A. R. Butt

2021 IEEE/ACM Workshop on Innovating the Network for Data-Intensive Science (INDIS 2021), held in conjunction with SC21

DOI: https://doi.org/10.1109/INDIS54524.2021.00011

> Toward a Comprehensive Benchmark Suite for Evaluating GASPI in HPC Environments

S. Neuwirth

2021 IEEE International Conference on Cluster Computing (CLUSTER)

DOI: https://doi.org/10.1109/Cluster48925.2021.00082

> Parallel I/O Evaluation Techniques and Emerging HPC Workloads: A Perspective [Slides]

S. Neuwirth and A. K. Paul

2021 IEEE International Conference on Cluster Computing (CLUSTER)

DOI: https://doi.org/10.1109/Cluster48925.2021.00100

> Lustre Architecture and Key Benefits

S. Neuwirth

Invited talk, Lustre BOF, ISC High Performance Conference 2021 (ISC21)