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ИНСТИТУТ ПО ИНФОРМАЦИОННИ И КОМУНИКАЦИОННИ ТЕХНОЛОГИИ

БЪЛГАРСКА АКАДЕМИЯ НА НАУКИТЕ

IICT: focal point for e-Science in

Bulgaria

Prof. A. Karaivanova, IICT-BAS

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Strategic targets and mission

Strategic targets:

Sustainable development of the institute as a national leader in the

information and communication technologies, with internationally visible

and recognized results.

Mission:

To perform basic and applied research in the fields of computer science and

information and communication technologies, as well as to develop

interdisciplinary innovations.

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Departments

• Computer Networks and Architectures

• Parallel Algorithms

• Scientific Computations

• Mathematical Methods for Sensor Data Processing

• Linguistic Modelling

• Information Technologies for Security

• Grid Technologies and Applications

• Technologies for Knowledge Management and Processing

• Modelling and Optimization

• Signal Processing and Pattern Recognition

• Information Processes and Decision Support Systems

• Intelligent systems

• Embedded Intelligent Technologies

• Communication Systems and Services

• Hierarchical Systems

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Structure of the R&D activities

The research and development activities of IICT during 2013 are

performed into the framework of the following main projects:

- 15 funded by the budget subsidiary

- 16 supported by the Bulgarian Science Fund (BSF)

- 15 funded by the Operational Programs: 13 by OP „Development of

the Competitiveness of the Bulgarian Economics“ and 2 by OP

„Human Resources Development”

- 17 international projects: 14 funded by EC

- 11 R&D contracts directly with industrial enterprise

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Center of Excellence on

Supercomputing Applications:

SuperCA++,BSF Grant DCVP 02/1

Consortium: IICT – BAS (coordinator),

SU, TU – Sofia, MU – Sofia, IM – BAS,

NIGGG - BAS

Infrastructure: Supercomputer IBM Blue

Gene/P at NSCC, HPC Cluster at IICT –

BAS

The project creates a critical mass of

highly qualified scientists. The core team

consists of more than 80 people: about

56% of them are PhD students and young

researchers.

Advanced Computing for Innovations:

AComIn, FP7-REGPOT-2012-2013-1,

GA 316087

Major Objectives:

•Strengthening the human potential

•Setting up Smart Periphery Lab

•Organization and training of user

communities

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National Consortiums

IICT leads the following two national consortiums:

- Supercomputer Applications:

- Coordinator: IICT

- Members: the 3 largest universities in BG and 3 BAS institutes

- Grid Computing:

- Coordinator: IICT

- Members: 11 universities and institutes

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Center of Excellence on Supercomputing Applications:

SuperCA++, Bulgarian NSF Grant DCVP 02/1

• Consortium: IICT – BAS (coordinator), SU, TU – Sofia, MU –

Sofia, IM – BAS, NIGGG - BAS

• Infrastructure: Supercomputer IBM Blue Gene/P at NSCC, HPC

Cluster at IICT – BAS

The project creates a critical mass of highly qualified scientists. The

core team consists of more than 80 people: about 56% of them are

PhD students and young researchers.

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CoE SuperCA++

WP 1. High Performance Architectures

IICT - BAS

WP2. Multiprocessors Communication NetworksTU - Sofia

WP3. High-Performance Framework for Advanced Grid Applications

IICT - BAS

WP4. Finite Element Computer Simulation of Strongly Heterogeneous Media

IICT - BAS

WP5. Monte Carlo Methods for Sensitivity Analysis of Large Mathematical Models

IICT - BAS

WP6. Wind Energy and Atmospheric Quality Studies in Bulgaria

IGGG - BAS

WP7. Supercomputer Applications in Computational Fluid Mechanics

Sofia University

WP8. Computer Simulation of micro-gas flows in elements of MEMS

IM - BAS

WP9. Quantum Supercomputer Simulations

Sofia University

WP10. Supercomputer Simulations of Biological Molecules and SystemsSofia University

WP11. In Silico Prediction of Imunogenic and Allergenic Proteins MU - Sofia

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Center of Excellence on Supercomputer Applications

The 5 years work (2009-2014):

• is concerned with innovative ways in which ICT can be applied to complex scientific or industrial problems;

• is concerned with the support of multi-disciplinary research;

• is the application of computer technology to the undertaking of modern scientific investigation, including the preparation, experimentation, data collection, results dissemination, and long-term storage and accessibility of all materials generated through the scientific process;

• applies computer algorithms and tools for the interactive specification and maintenance of models and their analysis, visualization and simulation, in order to support scientific in silico experiments;

• is concerned with the optimal use and/or optimization of the use of larger parts of an e-infrastructure for scientific applications for complex scientific problems and/or

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FEM Supercomputing Applications

• The computer models are based on Finite Element Method (FEM)

approximation of coupled multiscale and multiphysics problems

described by coupled systems of partial differential equations.

• The simulated phenomena include diffusion, advection, reaction,

deformations, fluid flows, mass and heat transfer, etc. in strongly

heterogeneous media.

• The problems are inherently nonlinear and time dependent.

• A typical number of the space degrees of freedom is O(109), and

O(104) time steps.

• The numerical tests are run on IBM Blue Gene/P, High Performance

Computing (HPC) clusters and GPU accelerators.

• Open source HPC software platforms/libraries are integrated in the

developed codes.

• The focus is on scalability of the implemented optimal solvers based on

algebraic multigrid preconditioning.

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Supercomputing Applications

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FEM Supercomputing Simulations

• Numerical methods for large-scale scientific computing: FEM, MC

• Scalable parallel implementation on advanced HPC platforms

• Advanced applications in science and engineering

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Mesh Np=PxxPyxPz N Nit T(p) [s] E(p)

127x127x127 8=8x1x1 2 097 152 161 1 255

255x255x255 64=61x1x1 16 777 216 128 5 951 21%

511x511x511 512=512x1x1 134 217 728 - > 24 h < 2%

127x127x127 8=4x2x1 2 097 152 167 1 137

255x255x255 64=8x8x1 16 777 216 129 1 203

511x511x511 512=32x16x1 134 217 728 114 1 581 95%

127x127x127 8=4x2x1 2 097 152 167 1 137 72%

255x255x255 64=4x4x4 16 777 216 128 1 062 107%

511x511x511 512=8x8x8 134 217 728 114 1 155 99%

Parallel tests: parabolic problem, voxel FEM mesh, 96 implicit backward Euler time steps, parallel Bummer AMG solver, IBM Blue Gene/P

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ParMETIS partitioning

•ParMETIS computes in parallel partitioning of large unstructured

meshes.

•High quality balance with respect to the number of elements and

vertices, and minimization of the size of interfaces is provided.

•The relatively large number of neighbors is still a problem.

Elements Vertices Sides

Total 904 834 560 150 943 232 770 825

Average 1 767 255 294 811 1 502

Minimal 777 582 139 058 0

Maximal 1 834 442 316 566 9 435

FEM discretization:ParMETIS partitioning for 512 processors of unstructured 3D mesh.

Combustion in porous inert media: SiSiC microstructure from CT

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Bone anisotropy

•solid skeleton at micro level =>

anisotropic tensor at macro level

•parallel MIC(0) and Boomer AMG

solvers

MIC(0) AMG

N p T[s] nit T[s] nit

643 1 4 477 1 022 4 412 117

1283 8 9 626 2 081 5 928 181

2563 64 16 182 2 965 6 939 102

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Fluid phase contribution

bone sample p DOF Nit Tit Ep

32x32x32 1 608 256 9 101

8 4 792 320 10 78 83%

64 38 043 648 11 91 55%

64x64x64 8 4 792 320 16 121

128x128x128 64 38 043 320 11 92

32x32x32 64x64x64 128x128x128

solid phase 26% 19% 18%

Eempty 1.10 GPa 0.58 GPa 0.70 GPa

νempty 0.141 0.158 0.142

Efluid 1.86 GPa 1.05 GPa 1.23 GPa

νfluid 0.396 0.436 0.425

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Simulation of hepatic tumor ablation

• Numerical methods for large-scale scientific computing: FEM, MC

• Scalable parallel implementation on advanced HPC platforms.

• Advanced applications in science and engineering.

Table: Accuracy analysis and scalability on IBM Blue Gene/P; time dependent FEM simulation of RF hepatic

tumor ablation

N P Δt [sec] V1 V4.6 Nit Time[s]

2 183 424 128 5 12.857 9.102 642 1 723

17 467 392 1 024 1.25 12.829 9.130 1 610 6 170

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GPU acceleration

Preconditioner Nit T [s]

Jacoby 2 741 16

FSAI 1 453 15.6

ILU(0,1) 1 373 26

AMG 26 3

Comparative analysis of parallel performance : Pralution Library; NVIDIA K20 GPU; N = 89 169

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Thank you for your attention

Priority topics

- Advanced computing

- Big Data

- Smart interfaces

- Optimization and intelligent control

IICT has experience in the area of e-science and will continue to work