Program
| Wednesday, March 11, 2015 |
| 13:00 - 15:00 18:00 - 20:00 |
Registration |
| 13:30 - 14:00 |
Lunch |
| 14:00 - 20:30 |
Tutorial: "Wykorzystanie Pythona w obliczeniach naukowych",
M. Makowski, G. Mazur,
M. Wielgosz
|
| Thursday, March 12, 2015 |
| 8:00 - |
Registration |
| 8:45 - 10:05 |
Session S1: Opening and CYFRONET
presentations, Chair: Mariusz Sterzel
| 8:45 |
|
Opening and CYFRONET presentation, K. Wiatr |
| 9:15 |
|
PLGrid Programme – IT Platforms and Domain-Specific Solutions Developed for the National Grid Infrastructure for Polish Science,
J. Kitowski, K. Wiatr, Ł. Dutka, T. Szepieniec, M. Sterzel, R. Pająk |
| 9:45 |
|
1.7 PetaFLOPS Prometheus. Deployed., K. Góźdź |
|
| 10:05 - 10:30 |
coffee |
| 10:30 - 11:35 |
Session S2: Short Poster
Presentations (3 min. each), Chair:
Robert Pająk
| 1. |
HOMA and NICS Aromaticity of Carbazole Derivative,
T. Kupka, K. Radula-Janik, K. Ejsmont, Z. Daszkiewicz |
| 2. |
Automatized Parameterization of the Two-Center Integrals in Density-Functional Tight-Binding Method, H.A. Witek, C.-P. Chou, G. Mazur,
Y. Nishimura, S. Irle, T. Frauenheim, K. Morokuma |
| 3. |
CAM-B3LYP Optimization in the Context of Better Description of the Electron Affinities in Molecular Systems, K. Kosztołowicz, M. Makowski |
| 4. |
ETS-NOCV Description of Changes in the Electronic Structure along the Reaction Path of the Double Proton Transfer in the Formamide Dimer and Related Systems, P. Talaga, M. Brela, A. Michalak |
| 5. |
Stability of Ion Triplets in Ionic Liquid/Lithium Salt Solutions,
P. Kubisiak, A. Eilmes |
| 6. |
Numerical Models of PWR Reactor for Monte Carlo Neutron Transport and Burnup Simulations, M. Oettingen |
| 7. |
Computation of Forces Acting on Microparticles over an Electrode Array Surface, E. Kurgan |
| 8. |
Negative Feedback Based Simulation of Bio-Systems,
J. Wach, M. Bubak, L. Konieczny, I. Roterman-Konieczna |
| 9. |
Investigation of Crankshafts Production Process by Using Grid-Based Sensitivity Analysis, D. Bachniak, L. Rauch |
| 10. |
On Development of Acceleration Techniques for Evolutionary Algorithms, J. Orkisz, M. Głowacki |
| 11. |
Constraint Optimization for Production Planning. A Note on Selected Tools and Numerical Experiments, W.T. Adrian, M. Ślażyński, A. Ligęza |
| 12. |
Optimization of the Kruskal's Algorithm Using Additional Grouping Thread for Spanning Tree Problem in Text-Mining Analysis,
A. Niewiarowski, A. Kulig, M. Stanuszek, S. Drożdż |
| 13. |
Documents Similarity Calculation in the Low-Power Cluster,
P. Russek, M. Karwatowski, M. Wielgosz, R. Frączek, K. Wiatr |
| 14. |
Study of Dimensionality Reduction and its Impact on Performance and Results Quality in Parallel Text Processing,
M. Pietroń, M. Wielgosz, R. Frączek, P. Russek, K. Wiatr |
| 15. |
Use of ML and DM Algorithms for Data Storage Management,
W. Funika, P. Gielmuda |
| 16. |
Data Storage Management and User Profiling with AI Methods,
W. Funika, F. Szura, J. Kitowski |
| 17. |
Improving the Efficiency of Distributed Fitness Evaluation Service,
W. Funika, P. Koperek |
| 18. |
Java Profiler Based on Byte Code Analysis and Instrumentation for Adaptation the Source Code in Many-Core Hardware Accelerators,
M. Pietroń, D. Żurek, M. Wielgosz, K. Wiatr |
| 19. |
Scientific Workflow Support in the PL-Grid Infrastructure with HyperFlow, B. Baliś, T. Bartyński, K. Figiela, M. Kasztelnik, P. Nowakowski, M. Pawlik, P. Suder, B. Wilk, M. Bubak |
| 20. |
Managing Iterations Graphs in Multiscale Applications using Akka,
K. Rycerz, M. Bubak |
| 21. |
Experience with the OpenStack Cloud for VPH Applications,
J. Meizner, M. Malawski, P. Nowakowski, P. Suder, M. Bubak |
|
| 11:35 - 13:20 |
Session S3:
Chair: Andrzej Oziębło
Current Status and Plans – Panel Discussion
|
| 13:20 - 14:40 |
lunch and posters |
| 14:40 - 16:50 |
Session S4:
Chair: Andrzej Eilmes
Invited talk
| 14:40 |
|
Volodymyr Kushnarenko, Computational Chemistry Optimized Cluster JUSTUS.
Advance via New Storage Technologies. |
Contributed papers
| 15:20 |
|
Pigment of Red Coral and African Snail Helixia Aspersa. Molecular Modeling
of Polyenes,
T. Kupka, P. Tarnowski, A. Żyła, M. Stachów, A. Buczek, M. Broda,
R. Szostak,
H.-M. Lin, L. Stobinski, L.-W. Fan |
| 15:35 |
|
Small Water Clusters in Liquid Alkaline Chloride Matrices,
J. Saramak, M. Kozanecki, K. Halagan |
| 15:50 |
|
Scientific Computing with Proxmox VE,
J.J. Włodarz |
| 16:05 |
|
Structural and Spectroscopic Parameters of Cytosine
– DFT Study,
R. Wałęsa, T. Kupka, M.A. Broda |
| 16:20 |
|
Theoretical Studies on the Polymer-Ion Interaction and the Solvent Effects
in the PBI-based Systems,
M. Brela, A. Michalak |
| 16:35 |
|
Octacarboxyphthalocyanines from the Experimental and Theoretical Viewpoint, M. Kliber, M.A. Broda, J. Nackiewicz |
|
| 16:50 - 17:10 |
coffee and posters |
| 17:10 - 18:40 |
Session S5: Contributed papers, Chair: Katarzyna Rycerz
| 17:10 |
|
Estimation of Computational Error by Higher Order Approximation in the Multipoint
Meshless FDM,
I. Jaworska, J. Orkisz |
| 17:25 |
|
The Calculation of Four Body Correlation Function Using Massive Multicore
CUDA Technology,
A. Dawid, K. Górny, D. Wojcieszyk, Z. Gburski |
| 17:40 |
|
Interactive Scientific Research with the Data Farming Methodology and
the Scalarm Platform,
G. Skiba, M. Wojakowski, J. Liput, D. Król, R. Słota, J. Kitowski |
| 17:55 |
|
Distributed Cloud Environment for PL-Grid Applications,
P. Nowakowski, T. Bartyński, T. Gubała, D. Harężlak, M. Kasztelnik, J. Meizner, P. Suder,
M. Bub ak |
| 18:10 |
|
High Performance Computing Resources over REST,
D. Harężlak, M. Kasztelnik,
M. Pawlik, B. Wilk, M. Bubak |
| 18:25 |
|
Assessment of Docker Containers for PLGrid Core
Infrastructure,
B. Wilk, D. Harężlak, M. Kasztelnik, M. Bubak |
|
| 20:00 - 22:00 |
Dinner in "Javorina", Strążyska 1, Zakopane
|
| |
| Friday, March 13, 2015 |
| 8:20 - 9:20 |
Session S6: Invited talks, Chair: Jacek Kitowski
| 8:20 |
|
Paweł Gepner, Performance Improvements with the New Generation Intel Xeon
E5-2600 v3 Processor Family and their Impact on HPC Workloads |
| 8:50 |
|
Frank Baetke, HPC Trends – from Today Towards "The Machine" and Exascale |
|
| 9:20 - 9:40 |
coffee and posters |
| 9:40 - 11:10 |
Session S7: Contributed papers,
Chair: Grzegorz Mazur
| 9:40 |
|
Conformational Properties of Oxazole-(Z)-Dehydrophenylalanine,
M. Staś, D. Siodłak |
| 9:55 |
|
Reduced Monomeric Cr Oxide Species on Silica Surface – Cluster and Periodic
DFT Calculations,
M. Gierada, J. Handzlik |
| 10:10 |
|
Spectral Shifts of Solvatochromic Dyes in Ionic Liquids – Explicit Solvent Model,
A. Eilmes, P. Kubisiak |
| 10:25 |
|
The Importance of Relativistic DFT-GIAO Calculations of NMR Parameters
of Methyl Halides,
T. Kupka, R.B. Nazarski |
| 10:40 |
|
Spatial Distribution of Fast Fourier Transform Spectrum from
Micromagnetic Simulations,
J. Chęciński, M. Frankowski, M. Czapkiewicz |
| 10:55 |
|
Modeling and Optimization of Coal Output in Underground Mine with OPTiCoalMine
Calculation Service,
E. Brzychczy, A. Napieraj, M. Sukiennik |
|
| 11:10 - 11:20 |
coffee and posters |
| 11:20 - 12:50 |
Session S8: Contributed papers, Chair: Renata Słota
| 11:20 |
|
Belle II Computing, K.M. Adamczyk |
| 11:35 |
|
New Projects of e+e- Colliders – Challenges for the Computing System,
B. Krupa, M. Kucharczyk, T. Lesiak, S. Mikocki, B. Pawlik,
P. Sopicki, T. Wojtoń, L. Zawiejski |
| 11:50 |
|
Kinetic Particle-In-Cell simulations of Cosmic Plasmas,
J. Niemiec, M. Pohl, K.-I. Nishikawa |
| 12:05 |
|
Micromagnetic Simulations of Magnetization Dynamics in Magnetic
Tunnel Junctions,
K.M. Frankowski, J. Chęciński,
M. Czapkiewicz, W. Skowroński, T. Stobiecki |
| 12:20 |
|
The Search for Rare and Forbidden Decays at the LHCb,
B. Rachwał |
| 12:35 |
|
The Studies of Neutrino Interactions and Oscillations in the T2K Experiment,
M.D. Batkiewicz, T. Wąchała |
|
| 12:50 - 13:50 |
lunch and posters |
| 13:50 - 15:20 |
Session S9: Contributed papers,
Chair: Karol Krawentek
| 13:50 |
|
Studying Global Lighting Activity Using Schumann Resonance Measurements,
M. Dyrda, A. Kulak, J. Młynarczyk |
| 14:05 |
|
IPython – a Versatile Platform for Numerical Simulations in Ion Radiotherapy,
L. Grzanka, M. Kłodowska, J. Gajewski, P. Olko,
M.P.R. Waligórski |
| 14:20 |
|
Two-Level Load Balancing for Onedata,
Ł. Opioła, M. Wrzeszcz, Ł. Dutka, R. Słota, J. Kitowski |
| 14:35 |
|
Implementation of FitSM Standard in PLGrid Infrastructure,
R. Różańska, M. Radecki, T. Szymocha, T. Szepieniec, A. Pułapa,
A. Zemła |
| 14:50 |
|
Cosine Similarity Metric Calculation on Low Power Heterogeneous
Computing Platform,
M. Karwatowski, S. Koryciak, E. Jamro, A. Dąbrowska-Boruch, K. Wiatr |
| 15:05 |
|
Characteristics of the World Scientific Collaboration Network,
A. Kulig, A. Niewiarowski, M. Stanuszek, S. Drożdż |
|
| 15:20 - 15:30 |
Closing |
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SPONSORS:
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