4th JLESC Workshop

2nd December 2015 11:00 AM
4th December 2015 16:30 PM
Gustav-Stresemann-Institut in Bonn, Germany
4th JLESC Workshop Logo

The workshop gathered leading researchers in high-performance computing from the JLESC partners INRIA, the University of Illinois, Argonne National Laboratory, Barcelona Supercomputing Center, Jülich Supercomputing Centre and RIKEN AICS to explore the most recent and critical issues in advancing the field of HPC from petascale to the extreme scale era.

The workshop featured sessions on these five central topics:

  • Applications and mini-apps, with a special focus on (but not limited to) molecular dynamics
  • Parallel Programming, runtime and tools
  • Resilience
  • Big Data, I/O and visualization
  • Numerical methods and algorithms

The key objective of the workshop is to identify new research collaborations and establish a roadmap for their implementation.

The event is open to researchers and students from the JLESC partner institutions who want to learn more about post-petascale and exascale computing on the cutting edge.

Compact workshop information: Workshop Guide (PDF, 1MB)


The workshop is organized by the JLESC partners:

Local organizing team

  • Robert Speck (management)
  • Julia Kämpfer (management)
  • Britta Hoßfeld (on-site organization)
  • Sabine Höfler-Thierfeldt (media)
  • Nadine Daivandy (media)

Workshop contact



Workshop Guide (PDF, 1 MB)

Wednesday, 2 December 2015


Main Lecture Room (S29/31)


Individual meetings at seminar rooms


Registration & Snack


Welcome & News - Chair: Franck Cappello (ANL)

Robert Speck (JSC): Welcome (15 min)

Paul Hovland (ANL): News (10 min)

Ed Seidel (UIUC): News (10 min)

Yves Robert (Inria): News (10 min)

Jesus Labarta (BSC): News (10 min)

Thomas Lippert (JSC): News (10 min)

Mitsuhisa Sato (RIKEN): News (10 min)

Scott Poole (UIUC): Collaboration in International Virtual Organizations (15 min)




Molecular Dynamics I - Chair: James Wilson (UIUC)

Helmut Grubmüller (external): Atomistic Simulations and Exascale Computing (keynote, 45 min)

Godehard Sutmann (JSC): Parallel Molecular Dynamics for Materials Science (30 min)

Jaewoon Jung (RIKEN): Development of GENESIS for large scale MD simulations (30 min)




Molecular Dynamics II - Chair: Godehard Sutmann (JSC)

Jorge Estrada (BSC): Interactive Drug Design with Monte Carlo Simulations (30 min)

James Wilson (UIUC): Molecular Dynamics simulations of nanoscale sensors (30 min)

S. Sankaranarayanan (ANL): Big data challenges in molecular dynamics: From force field development to trajectory post-processing (30 min)


Dinner & Young Scientists Meeting

Thursday, 3 December 2015


Main Lecture Room (S29/31)

Alternative Lecture Room (S25/26)


Programming Models I - Chair: L. Kale (UIUC)

A. Amer (ANL): MPI+Threads: Thread-Safety Optimization Perspectives (30 min)

V. Beltran (BSC): Implementing OmpSs on top of Argobots threads (30 min)

K. Pouget (Inria): Programming-Model Centric Debugging for OpenMP/OMPss (15 min)

M. Sato (RIKEN): Status of XcalableMP project and XMP 2.0 (15 min)

Big Data & I/O I - Chair: G. Antoniu (Inria)

N. Vandenbergen (JSC): Update on Blue Gene Active Storage (30 min)

J. Polo (BSC): Experiences with BGAS at BSC (15 min)

R. Sisneros (UIUC): Blue Waters Data Analysis and Visualization (15 min)

B. Raffin (Inria): DataMove (15 min)

B. Subramaniam (ANL): Comparison of Virtualization and Containerization Techniques for High-Performance Computing (15 min)





Programming Models II - Chair: M. Sato (RIKEN)

M. Dreher (ANL): Bredala: Pushing semantic into In-Situ applications to drive m++ research overview (30 min)

M. Casas (BSC): Hybrid OmpSs + Charm++ (15 min)

G. Ozen (BSC): Heterogeneous Scheduling and Dynamic Parallelism Support in Accelerator Directives (15 min)

Resilience I - Chair: Y. Robert (Inria)

L. Bautista Gomez (ANL): Spatial Support Vector Regression to Mitigate Silent Errors in the Exascale Era (30 min)

A. Hori (RIKEN): Towards Realistic Fault Resilience (15 min)

V. Beltran (BSC): Task-based resilience in OmpSs (15 min)

R. Speck (JSC): Fault-tolerant Parallel-in-Time Integration with PFASST (15 min)

M. Schanen (ANL): Asynchronous Two-Level Checkpointing Scheme for Large-Scale Adjoints (15 min)


Lunch + individual meetings



Double Feature: Automatic Differentiation - Chair: Robert Speck (JSC)

Paul Hovland (ANL): Automatic Differentiation: State of the Art and Collaboration Opportunities (keynote: 45 min)

Christian Bischof (external): Enhancing the Software Ecosystem for Automatic Differentiation (keynote: 45 min)






Numerics I - Chair: Y. Nakamura (RIKEN)

T. Imamura (RIKEN): Multi-platform Eigenvalue solver (30 min)

H. Suno (RIKEN): Calculation of eigenvalues and eigenvectors for large sparse non-Herimitian matrices in lattice QCD (15 min)

K. Fröhlich (JSC): Parallel Generation of Hierarchical Cartesian Meshes for CFD on HPC Systems (15 min)

B. Steinbusch (JSC): PEPC - a Scalable, Multi-Physics O(N) Tree Code (15 min)

A. Bienz (UIUC): Topology-Aware Asynchronous methods and the Sparse Matrix-Vector Multiply (15 min)

FPGAs - Chair: F. Cappello (ANL)

F. Cappello (ANL): Introduction (15 min)

C. Alvarez (BSC): OmpSs and FPGAs (30 min)

O. Unsal (BSC): Accelerating Database Analytics Through FPGAs (15 min)

N. Maruyama (RIKEN): Benchmarking FPGAs with OpenCL (15 min)

M. Sato (RIKEN): Title missing (15 min)


Social Event and Workshop Dinner


Friday, 4 December 2015


Main Lecture Room (S29/31)

Alternative Lecture Room (S25/26)


Big Data & I/O II - Chair: R. Sisneros (UIUC)

M. Dorier (ANL): Performance-Constrained In Situ Visualization of Atmospheric Simulations (30 min)

L. Pineda Morales (Inria): Scaling Smart Appliances for Spatial Data Synthesis (30 min)

A. Barcelo (BSC): Exploiting locality through iterators on dataClay + PyCOMPSs (15 min)

M. Riedel (JSC): Scientific Big Data Analytics (15 min)

Numerics II - Chair: P. Hovland (ANL)

D. Haensel (JSC): How to do nothing in less time (30 min)

A. Schleife (UIUC): Numerical Integrators for Fast and Scalable Quantum Molecular Dynamics (15 min)

Y. Nakamura (RIKEN): Block and communication avoiding Krylov subspace methods (15 min)

P. Hovland (ANL): open mic (30 min)





Big Data & I/O III - Chair: G. Antoniu (Inria)

J. Wozniak (ANL): Integrating big data tools for X-ray science (30 min)

O. Yildiz (Inria): Investigating the root causes of I/O interference in HPC storage systems (30 min)

G. Antoniu (Inria): open mic (30 min)

Resilience II - Chair: M. Casas (BSC)

L. Bautista Gomez (ANL): Opportunities for online data analytics in HPC (15 min)

Y. Robert (Inria): Optimal resilience patterns to cope with fail-stop and silent errors (15 min.)

J. Calhoun (UIUC): Evaluating Lossy Compression for HPC (15 min)

S. Narayanan (ANL): Separated at birth: checkpointing in resilience and algorithmic differentiation (15 min)

F. Cappello (ANL): open mic (30 min)


Lunch + individual meetings



Performance Tools I - Chair: G. Llort (BSC)

B. Wylie (JSC): Developer tools for porting & tuning parallel applications (30 min)

B. Mohr (JSC): Challenges and Opportunities of Visual Performance Data Analytics (15 min)

C. Heinrich (Inria): Advances in simulation of parallel applications with SimGrid (15 min)

S. Shudler (JSC): Exascaling Your Library: Will Your Implementation Meet Your Expectations? (15 min)

A. Peña (BSC): Data placement on heterogeneous memory systems in HPC (15 min)

Programming Models III - Chair: J. Labarta (BSC)

S. Seo (ANL): Performance Analysis and Optimizations of Argobots (30 min)

F. J. Conejero (BSC): A brief overview of PyCOMPSs vs Spark comparison (15 min)

A. Denis (Inria): Asynchronism in MPI (15 min)

J. Labarta (BSC): open mic (30 min)





Performance Tools II - Chair: B. Mohr (JSC)

G. Llort (BSC): Techniques for maximizing information and minimizing trace size (30 min)

S. Lührs (JSC): JUBE - A Flexible, Application- and Platform-Independent Environment for Benchmarking (15 min)

B. Mohr (JSC): open mic (30 min)

Applications & Mini-Apps - Chair: M. Sato (RIKEN)

N. Maruyama (RIKEN): Title missing (30 min)

W. Kramer (UIUC): Attributes and features for Blue Waters scale mini-apps (15 min)

N. Maruyama (RIKEN): open mic (30 min)





The workshop will take place at the Gustav-Stresemann-Institut in Bonn (GSI Bonn).

The participants will stay directly at the GSI. The corresponding arrangements will be made by the organizers.

Please refrain from making individual room reservations. Only when using our block hotel reservation, the accommodation costs are covered by the workshop fees.

Gustav-Stresemann-Institut e.V. Bonn

The GSI’s European Institute for Conferences and Professional Training in Bonn is an independent, non-partisan and non-profit-making establishment for political education.
Recognised in this capacity by the federal state of North Rhine-Westphalia, the GSI organises conferences and symposia, congresses, workshops and seminars on a wide range of subjects. The Gustav-Stresemann-Institut is situated in a large, quiet park estate – and yet in the middle of the new federal quarter of Bonn, in the centre of the flourishing conference and service city. You’ll find international tourist attractions and cultural facilities within easy reach:

See details on OpenStreetMap.

Impressions from the first day of the 4th JLESC Workshop.

Franck Capello (ANL)
Robert Speck (JSC)
Welcome Session
Welcome Session
Paul Hovland (ANL)
Ed Seidel (UIUC)
News Session
News Session
Yves Robert (Inria)
Jesus Labarta (BSC)
Thomas Lippert (JSC)
News Session
Mitsuhisa Sato (RIKEN)
Scott Poole (UIUC)
News Session
Hacking JLESC
Participants of the 4th JLESC Workshop in Bonn

Last Modified: 21.11.2022