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Institute for Advanced Simulation (IAS)

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 Workshop Guide (PDF, 1 MB)


Wednesday, 2 December | Thursday, 3 December | Friday, 4 December


Wednesday, 2 December 2015
TimeMain Lecture Room (S29/31)
08:00-12:00Individual meetings at seminar rooms
12:00-13:00Registration & 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)

19:00-22:00Dinner & Young Scientists Meeting


Thursday, 3 December 2015
TimeMain 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 data redistribution (30 min)

L. Kale (UIUC): Charm++ 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)

12:00-13:30Lunch + 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)

18:00-23:00Social Event and Workshop Dinner


Friday, 4 December 2015
TimeMain 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)

12:00-13:30Lunch + 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)