V.V. Ivanov (LIT JINR) GRID’2012, JINR, Dubna INFORMATION TECHNOLOGIES in JINR ACTIVITIES Victor V. Ivanov Joint Institute for Nuclear Research Laboratory

V.V. Ivanov (LIT JINR) GRID’2012, JINR, Dubna

INFORMATION INFORMATION TECHNOLOGIES in JINR TECHNOLOGIES in JINR ACTIVITIESACTIVITIES

Victor V. IvanovJoint Institute for Nuclear Research

Laboratory of Information Technologies


The main tasks of the Laboratory of Information Technologies: Provision of the JINR and its partner institutions

in the JINR Member States and in other countries with top telecommunication, network and information resources, as well as top research in computational mathematics and computational physics aimed at solving specific problems arising in experimental and theoretical studies conducted at JINR or with its participation.


Networking and ComputingNetworking and ComputingSpecific tasks:Specific tasks:

development of telecommunication channels of JINR with the JINR Member States on the basis of national and regional telecommunication networks;

fault-tolerant operation and further development of the high-speed and protected local area network of JINR;

development and maintenance of the distributed high-performance computing infrastructure and mass storage resources;

information, algorithmic and software support of the research-and-production activity of JINR;

development and reliable operation and development of the JINR Grid-segment as a component of the global Grid-infrastructure.


JINR NetworkingThe JINR network infrastructure has communication lines: CERN – 10Gb/s; RBnet - 10Gb/s; RASnet - 10Gb/s; RadioMSU - 10Gb/s; GEANT – 2x10Gb/s; GLORIAD - 1Gb/s; Moscow - 20Gb/s, etc.

JINR Local Area Network

Comprises 7308 computers&nodes

Users – 3663 , IP – 8860 Remote VPN users – 1219 High-speed transport (10 Gb/s) – realised in 2011

Controlled-access at network entrance.Network authorization system involves basic services (AFS, batch systems, Grid, JINR LAN remote access, etc.)

Controlled-access at network entrance.Network authorization system involves basic services (AFS, batch systems, Grid, JINR LAN remote access, etc.)


JINR Local Area JINR Local Area NetworkNetwork

Network monitoring information system -

more than 350 network nodes are in round-the-

clock monitoring


CICC comprises CICC comprises 25602560 Core Core Total performance Total performance 24 00024 000 HEP-SPEC06 HEP-SPEC06 Disk storage capacity Disk storage capacity 1800 TB 1800 TB

JINR Tier-2 Center StatusJINR Tier-2 Center Status

Availability and Reliability = 99%

More than 9 million tasks were executed during the year of 2011-2012The JINR The JINR Grid-site JINR-LCG2Grid-site JINR-LCG2 is in the is in the

top 10top 10 of the Country Tier2 sites of the Country Tier2 sites worldwide. It covers around worldwide. It covers around 44% of the 44% of the RDIGRDIG share to the share to the LHCLHC in 2011-2012 in 2011-2012

0,00E+00

5,00E+08

1,00E+09

1,50E+09

2,00E+09

2,50E+09

USAUK France

Germ

anyItalySpain

CanadaPolandRussian Federation

JINRRom

aniaJapan

SloveniaCzech RepublicSwitzerland

SwedenBelgiumPortugalChina

IsraelEstoniaHungary

Republic of KoreaAustraliaTurkey

NorwayAustriaTaipei

FinlandIndiaPakistan

Greece

UkraineBrazil

49%44%

WLCG - Tier-2 Accounting Report.June 2011 - May 2012. Normalised CPU time [units HEP-SPEC06.Hours] by Tier2


Scheme of the CICC network connections


88

Frames for Grid cooperation of JINRFrames for Grid cooperation of JINR Worldwide LHC Computing Grid (WLCG) Enabling Grids for E-sciencE (EGEE) - Now is EGI-InSPIRE EGI-InSPIRE RDIG Development Now is E-ARENA CERN-RFBR project “Grid Monitoring from VO perspective” BMBF grant “Development of the grid-infrastructure and tools to provide

joint investigations performed with participation of JINR and German research centers”

“Development of grid segment for the LHC experiments” was supported in frames of JINR-South Africa cooperation agreement;

Development of grid segment at Cairo University and its integration to Development of grid segment at Cairo University and its integration to the JINR GridEdu infrastructurethe JINR GridEdu infrastructure

JINR - FZU AS Czech Republic Project “The grid for the physics JINR - FZU AS Czech Republic Project “The grid for the physics experiments”experiments”

NASU-RFBR project “Development and support of LIT JINR and NSC KIPT NASU-RFBR project “Development and support of LIT JINR and NSC KIPT grid-infrastructures for distributed CMS data processing of the LHC grid-infrastructures for distributed CMS data processing of the LHC operation”operation”

JINR-Romania cooperation Hulubei-Meshcheryakov programme JINR-Moldova cooperation (MD-GRID, RENAM) JINR-Mongolia cooperation (Mongol-Grid) Project GridNNN (National Nanotechnological Net)


JINR in the Russian Data Intensive Grid infrastructure (RDIG)

RDIG Resource Centres:– ITEP– JINR-LCG2– Kharkov-KIPT– RRC-KI– RU-Moscow-KIAM– RU-Phys-SPbSU– RU-Protvino-IHEP– RU-SPbSU– Ru-Troitsk-INR– ru-IMPB-LCG2– ru-Moscow-FIAN– ru-Moscow-GCRAS– ru-Moscow-MEPHI– ru-PNPI-LCG2– ru-Moscow-SINP- BY-NCPHEP

The Russian consortium RDIG (Russian Data Intensive Grid), was set up in September 2003 as a national federation in the EGEE project. Now the RDIG infrastructure comprises 17 Resource Centers with > 5000 CPU (12000 kSI2K) and > 3200 TB of disc storage.

ALICE

ATLAS

CMS

RDIG

JINR-Grid

51%42%

35%41%

The JINR Grid-site JINR-LCG2 support LHC experiments. It covers 42% of the RDIG share to the LHC in 2011

JINR Grid-infrastructure for training and education – first step towards construction of the JINR Member States

grid-infrastructure

August, 2011 - new grid site of L.N. Gumilyov Eurasian National University (Astana, Republic of Kazakhstan) September, 2011 - at the Institute of Computer Science, Mongolian AS scientific researchers of the institute with an active support of LIT specialists, have developed an educational Grid-site which became a part of the educational-scientific infrastructure of the JINR Member States.


Projects started in 2011 and progressed in 2012


Joint NRC "Kurchatov Institute"Joint NRC "Kurchatov Institute" – JINR– JINR Tier- Tier-1 Computing1 Computing CentreCentre

Terms: 2011-2013Type of project: R&DCost: federal budget - 280 million roubles,

extrabudgetary sources - 50% of the total cost

Leading executor: NRC KI «Kurchatov institute»

Co-executor: LIT JINR (for the CMS experiment)

Core of the proposal: Working prototype of the first-level center fordata processing within the LHC experimentsTechnical polygon for designing systems of

distributed processing and analysis of data obtained at future scientific megainstallations:

FAIR (Darmstadt, Germany), NICA (JINR, Dubna),

XFEL (Hamburg, Germany)2012:1. Direct 10Gbps telecommunication

channel to CERN2. Tier-1-CMS Prototype CPU (kSI2k) – 1000, Disk(Tbytes) – 500

Project: «Creation of the automated system of data processing for experiments at the Large Hadron Collider (LHC) of Tier-1 level and maintenance of Grid-services for a distributed analysis of these data»


Project:Project: Model of a shared Model of a shared distributed system for distributed system for acquisition, transfer and acquisition, transfer and processing of very large-scale processing of very large-scale data volumes, based on Grid data volumes, based on Grid technologies, for the NICA technologies, for the NICA accelerator complexaccelerator complex

TermsTerms:: 2011-2012 2011-2012CostCost:: federal budget - 10 million federal budget - 10 million

rubles, extrabudgetary rubles, extrabudgetary sources - 25% of the total sources - 25% of the total costcost

Leading executorLeading executor:: LIT JINR LIT JINRCo-executor:Co-executor: VBLHEP JINR VBLHEP JINR

MPD data processing model

( from “The MultiPurpose Detector – MPD Conceptual Design Report v. 1.4 ”)


Tier 3 sites monitoring projectTier 3 sites monitoring project• Traditional LHC Distributed Computing

Tier-0 (CERN) → Tier-1 → Tier-2 • Additional → Tier-3 • Needs → the global view of the LHC computing activities• The LIT participates in the development of a software suite for Tier-3 sites monitoring • A virtual testbed has been created at JINR which allows simulation of various Tier3 clusters and solutions for data storage.

Tier-0

Tier-1

Tier-2

Tier-3

CERN Analysis Facility

Raw

Raw/AOD/ESD

AOD

DPD

Interactive analysisplots, fits, toy MC,

studies, …

12 Sites Worldwide

120+ Sites Worldwide

developmenthost

2 WNs

Headnode + WN

PBS (Torque)

2 servers

Manager (redirector)XRootD

2 WNs

Headnode

PROOF

2 WNs

Headnode + WN

Condor

2 WNs

Headnode

Oracle Grid Engine

2 servers

Manager (redirector)XRootD

OSS

ClientLustre

MDS

Gangliaweb

frontend


INFORMATION AND SOFTWARE SUPPORT OF INFORMATION AND SOFTWARE SUPPORT OF THE INSTITUTE'S ACTIVITIESTHE INSTITUTE'S ACTIVITIES

Consecutive development and support of Consecutive development and support of the library JINRLIB as well as support of the library JINRLIB as well as support of program libraries developed by other program libraries developed by other research centres and organizations and research centres and organizations and information, and technical help to users. information, and technical help to users. http://www.jinr.ru/programs/http://www.jinr.ru/programs/

Development and support of informational Development and support of informational WWW/FTP/DBMS-serversWWW/FTP/DBMS-servers

Creation and storage of electronic Creation and storage of electronic documents related to the JINR scientific documents related to the JINR scientific and administrative activityand administrative activity

Development, creation and support of Development, creation and support of information web-sites of workshops and information web-sites of workshops and conferencesconferences

Support, modernization and maintenance of Support, modernization and maintenance of computer systems of administrative computer systems of administrative databases (in cooperation with STD AMS databases (in cooperation with STD AMS JINR). JINR).

The portals of journals PEPAN and PEPAN The portals of journals PEPAN and PEPAN Letters Letters ((http://pepan.jinr.ru)http://pepan.jinr.ru) functioning, a functioning, a specialized interface has been designed for specialized interface has been designed for the authors, editors, referees and the authors, editors, referees and administrators providing interconnections administrators providing interconnections with the databases of the journals with the databases of the journals


JINR DOCUMENT SERVER – Open Access repository of JINR

The currently created The currently created JINR's institutional JINR's institutional repository (bilingual), repository (bilingual), JDS (JDS (http://jds.jinr.ru), ), based on the OAI based on the OAI paradigm, makes paradigm, makes available on-the-fly available on-the-fly the results of the results of scientific research scientific research performed at JINR for performed at JINR for physical community physical community over the world. JINR over the world. JINR scientists get access scientists get access to a vast amount of to a vast amount of documents in the field documents in the field of nuclear, particle of nuclear, particle physics and related physics and related areas.areas.

Visualization of Search and Navigation

Activity Planning Tool (APT) and Earned Value Management (EVM) at JINR for NICA

Project requires strong progress control during creation phase and in further maintenance. The good example of such facility is LHC at CERN. The main idea is to “extract” EVM from the APT to be able to implement it in Dubna as a stand alone application for the NICA project. In the middle of September a plan of required works was created and approved by both sides.

The project consists of 2 phases:

·Preparation, setup and launch a prototype of EVM (for NICA) hosted at CERN.

·Implement a specific solution hosted at JINR


Computational PhysicsComputational PhysicsSpecific tasks:Specific tasks:

development of new mathematical methods and tools for modeling physical processes and experimental data analysis;

creation of methods and numerical algorithms for modeling magnetic systems;

elaboration of software and computer complexes for experimental data processing;

elaboration of numerical algorithms and software for the simulation of complex physical systems;

development of methods, algorithms and software of computer algebra;

contribution to the development of the new generation computing tools;

application of the developed methods and algorithms to topics in other science and technology branches (nanotechnology, biology, medicine, economy, industry, etc.).


Provides: WEB access to computing resources of LIT for Monte Carlo simulations of hadron-hadron, hadron-nucleus, and nucleus-nucleus interactions, by means of most popular generators.Realization: service - oriented architecture.

Monte Carlo simulations at the server Provide physicists with new calculation/simulation tools Mirror site of GENSER of the LHC Computing GRID

project Provide physicists with informational and mathematical

support Introduce young physicists into HEP world

Goals:

HepWeb Overviewhttp://hepweb.jinr.ru/

HepWeb Overviewhttp://hepweb.jinr.ru/

Project HepWeb team:E. Alexandrov, V. Kotov, V. Uzhinsky, and P. Zrelov


A structure of the HepWeb service based on a distributed

computer system


FRITIOF

CASCADE

UrQMD

HIJING

Glauber Cross Sections

Reggeon Cross Sections

Analysis and description of exp. dataobtained by VBLHE (E.N.Kladnitskaya et al.)

Program at HepWeb.jinr.ru Project

(FTF model by V. Uzhinsky)


New additions to “JINRLIB”New additions to “JINRLIB”

Collaboration LIT – FLNPCollaboration LIT – FLNP

Collaboration LIT – FLNPCollaboration LIT – FLNP

Track visualization in TPC of NICA/MPD Au + Au at √s = 7 GeV

Visualization of freezeout surface Au + Au at √s = 7 GeVAu + Au at √s = 7 GeV

Au + Au at √s = 15 GeV

Visualization for Heavy Ion Collision Visualization for Heavy Ion Collision ExperimentsExperiments

G. Musulmanbekov, A. Solovjev (LIT)


Data smoothing within BEMData smoothing within BEM

The basic element method (BEM) for decomposition of decomposition of an algebraic polynomial via basic elementsan algebraic polynomial via basic elements (one cubic and three parabolas) is developed within the four-point transformation technique. This gives a lever at solving various tasks of applied mathematics. So, in the polynomial approximationpolynomial approximation and smoothing problemssmoothing problems the BEM presentation allows one to reduce the reduce the computational complexity of the algorithms and to computational complexity of the algorithms and to increase their stability to errorsincrease their stability to errors by choice of the internal relationship structure between variable and control parameters.

N.D. Dikoussar, Мат. Моделирование 22, № 12, 115-136 (2010)

Basic elements Basic functions

b

SmoothingSmoothing Comparison with classical methodComparison with classical method


Methods and tools for modeling physical processes Methods and tools for modeling physical processes and experimental data analysis in particle and and experimental data analysis in particle and relativistic nuclear physicsrelativistic nuclear physics•• Further development of the interactive system HEPWEB and its integration Further development of the interactive system HEPWEB and its integration

in the Grid infrastructure.in the Grid infrastructure.• Mathematical, algorithmic, and software support for the GRID-based data Mathematical, algorithmic, and software support for the GRID-based data

analysis within the LHC experiment ATLAS and the experiment HONE.analysis within the LHC experiment ATLAS and the experiment HONE.

•• Use of statistical methods, Monte Carlo methods, artificial neuronal Use of statistical methods, Monte Carlo methods, artificial neuronal networks (ANN), cellular automata, wavelets, fractals, etc., for experimental networks (ANN), cellular automata, wavelets, fractals, etc., for experimental installation modeling and data analysis.installation modeling and data analysis.

• Extraction of physically significant information in conditions of partial Extraction of physically significant information in conditions of partial uncertainty and methods for hypothesis decision.uncertainty and methods for hypothesis decision.

• Development of ANN algorithms and software for hadronic calibration of Development of ANN algorithms and software for hadronic calibration of the ATLAS calorimeter complex and their adaptation to the conditions of the ATLAS calorimeter complex and their adaptation to the conditions of the experimental data analysis at ATLAS.the experimental data analysis at ATLAS.

• Mathematical, algorithmic, and software support for numerical simulations Mathematical, algorithmic, and software support for numerical simulations of development topics within NICA/MPD and CBM projects.of development topics within NICA/MPD and CBM projects.

•• Modeling magnetic systems in NICA/MPD facilities.Modeling magnetic systems in NICA/MPD facilities.

1. The foreseen continuation of JINR participation in large scale high energy JINR participation in large scale high energy physics projectsphysics projects (NICA/MPD, ATLAS, CMS, CBM, Panda, etc.) needs further development of a strong dedicated computer support strong dedicated computer support to these activities within the GRID environmentwithin the GRID environment.

2. The LIT support to the experimentalLIT support to the experimental particle and relativistic nuclear physics research assumes:- the development of new methods for data analysisnew methods for data analysis in the specific context

of each experiment- performing the development/upgrade/update of tools for computer development/upgrade/update of tools for computer

simulations and involvement in the project designsimulations and involvement in the project design as requested by future conceptual developments of the projects, as well as the physical realization of the corresponding facilities


Modeling theoretical problems in particle and Modeling theoretical problems in particle and relativistic nuclear physicsrelativistic nuclear physics

•• MMathematical modeling, analytical and numerical investigations on the understanding of the athematical modeling, analytical and numerical investigations on the understanding of the occurrence of the mixed phase in high energy heavy-ion collisions foreseen within the future occurrence of the mixed phase in high energy heavy-ion collisions foreseen within the future NICA-MPD project. Investigation of quark interaction models of hot and dense nuclear matter NICA-MPD project. Investigation of quark interaction models of hot and dense nuclear matter will be continued with the development of mathematical tools and methods for the analysis will be continued with the development of mathematical tools and methods for the analysis of the new phase. Numerical investigations of the chiral phase transition mechanisms from of the new phase. Numerical investigations of the chiral phase transition mechanisms from the quark matter to the quarkonium phase will be done.the quark matter to the quarkonium phase will be done.

• Investigation of the vacuum structure in the relativistic heavy ion collisions at NICA, using Investigation of the vacuum structure in the relativistic heavy ion collisions at NICA, using the Schwinger mechanism of pair creation, to study aspects of possible collision scenarios the Schwinger mechanism of pair creation, to study aspects of possible collision scenarios and, in particular, the tunneling processes of quark-antiquark pairs from the vacuum by a and, in particular, the tunneling processes of quark-antiquark pairs from the vacuum by a color chromo-electric field.color chromo-electric field.

• Numerical studies, using parallel codes, of the mechanisms and scenarios of the Numerical studies, using parallel codes, of the mechanisms and scenarios of the confinement within infrared QCD range, through the optimization of the procedure of fixing confinement within infrared QCD range, through the optimization of the procedure of fixing the Lorentz and Coulombian gauges for the non-perturbative computation of the gluon and the Lorentz and Coulombian gauges for the non-perturbative computation of the gluon and phantom propagators, of the running coupling constant in QCD and other non-gauge-phantom propagators, of the running coupling constant in QCD and other non-gauge-invariant quantities in lattice QCD models.invariant quantities in lattice QCD models.

• Development of algorithmic methods, using new computer algebra tools, for the Development of algorithmic methods, using new computer algebra tools, for the computation of multi-loop Feynman integrals with the aim to get high precision comparison computation of multi-loop Feynman integrals with the aim to get high precision comparison of modern theoretical models with experimental data expected at LHC in CERN.of modern theoretical models with experimental data expected at LHC in CERN.

3. The computer solution of theoretical modelscomputer solution of theoretical models of physical processes expected in the future NICA/MPD projectNICA/MPD project.

4. The identification and solution identification and solution of unsolved LHC “wishlist” of unsolved LHC “wishlist” problemsproblems will be continued, based on our expertise in applied mathematics, computer algebra and symbolic programming.


CBM(GSI)CBM(GSI) - Development of Methods and Algorithms for Global Tracking

TASK:• Development of methods, algorithms and codes for global tracking in STS, RICH and TRD track matching; Kalman filter for track fitting; • Further development of pattern recognition and ring reconstruction algorithms for RICH;• Development and comparative study of different algorithms for accurate momenta reconstruction; • Development of algorithms for accurate reconstruction and selection of primary and secondary vertexes; • Magnetic field calculations; • GEANT simulations.

Modern technologies for parallelization: 1)Vectorization (SIMD - Single Instruction Multiple Data)2)Multithreading (many cores CPU)

Fast parallel algorithms were developed for event reconstruction in the CBM

Event reconstruction algorithms: 1)Tracking: Kalman filter and track following2)Ring reconstruction: Hough Transform

Two PhD thesis were delivered on the basis of these studies

Results: 1)High track and ring reconstruction efficiency (93-95%)2)Very fast algorithms

InitialTime

[ms/event]

ParallelTime

[ms/event]

Speedup

Tracking 730 1.5 487Ring reconstruction

375 2.5 143

December, 2010 - a first data production on the CBMGRID, with LIT and GSI as participating sites. Produced 5,000,000 UrQMD events (35 AGeV Au+Au, min.bias).


Collaboration LIT – CBM-GSI



Magnetic systems modeling for JINR experiments

Model of ½ superconducting dipole magnet for CBM (up) and

the magnetic fields (down) calculated with the computer

code TOSCA

3D models of Booster quadrupole (a), dipole magnets (b), and the dipole magnet for NICA

collider (c)

a)

c)

b)


Computational Nuclear PhysicsComputational Nuclear Physics

• Study of the structure and scattering mechanism of stable and exotic neutron-rich nuclei at intermediary collision energy.

• Generalization of the nucleus-nucleus scattering microscopic model to kaon-nucleus collisions.

• Computation using free-less parameter models of observables related to the interaction of heavy ions with nuclei and particles.

• Modeling gravitating fast rotating super-dense configurations by use of the Bethe-Johnson, Oppenheimer-Volkov and Reid equations of state of the nuclear matter. Analytical and numerical definitions of critical regimes and bifurcations in the specific modeling systems.

• Modeling the ionizing processes in CO2 under high energy electron bombardment and calculations of relevant observables.

• Mathematical modeling of giant nuclear resonances, fusion, and fission of atomic nuclei. Numerical investigation of the magnetic transport coefficients in nuclear matter.

Specific topics are proposed for investigation in Specific topics are proposed for investigation in collaboration with the JINR Laboratories (FLNR, collaboration with the JINR Laboratories (FLNR, FLNP, and BLTP) and with research centers from FLNP, and BLTP) and with research centers from Russia, Egypt, Poland, Czech Republic.Russia, Egypt, Poland, Czech Republic.


Condensed matter physics, Condensed matter physics, nanotechnologiesnanotechnologies

• Nano-structure and properties of the multi-component phospholipid vesicular systems.

• Hetero-structural materials based on transition metal oxides.

• Thermal processes, change of physical-chemical properties, and formation of nano-structural tracks in materials irradiated with high energy heavy ions.

• Generation, interaction, and evolution of localized nano-structures in open dissipative systems.

• Electromagnetic response of nano-particles and nano-materials and computer simulations in nanoplasmonics.

• Propagation of electromagnetic impulses in many-component heterogeneous media (with application to BOREXINO experiment).

• Two-band Hubbard model of high-critical temperature superconductivity.

• Simulation of gauge symmetric discrete dynamical systems (e.g., nano-structures) using computer algebra and computational group theory.

• Fluid diffusion processes and phase transitions in porous materials.

Specific topics are proposed for investigation in Specific topics are proposed for investigation in collaboration with several JINR Laboratories collaboration with several JINR Laboratories (FLNP, FLNR, BLTP, LRB) and with research (FLNP, FLNR, BLTP, LRB) and with research centers from Russia, Slovakia, Romania, Vietnam, centers from Russia, Slovakia, Romania, Vietnam, Mongolia, Armenia, Bulgaria, South Africa.Mongolia, Armenia, Bulgaria, South Africa.

V.V. Ivanov (LIT JINR) GRID’2012, JINR, DubnaA.A. Gusev, O. Chuluunbaatar, V.P. Gerdt, V.A. Rostovtsev, (LIT), S.I.Vinitsky (BLTP), V.L. Derbov, V.V. Serov, (Saratov StU), P.M. Krassovitskiy (INP Almaty), H.A. Sarkisyan (Slavonic Univ. Yerevan)

COMPUTER ANALYSIS OF MODEL NANO-STRUCTURES IN EXTERNAL FIELDS

Spectral, optical, and transport characteristics of quantum wells, quantum wires, and quantum dots of semiconductor nanostructures have been investigated by means of computer simulation codes developed in LIT-JINR during 2008-2011. Symbolic-numerical algorithms and a problem-oriented complex of programs, are available via the Computer Physics Communication Program Library (downloaded from the CPC program library more than 600 times)

(Eigenenergies and eigenfunctions in terms of quantum dot shape)

(Laser-stimulated radiative recombination rate λSRR of positron and antiproton in a quantum wire)


Ab initio quantum-chemical cluster calculations of electronic and magnetic properties of systems with strong electron correlations

Cluster of corner-sharing CuO4 plaquettes in

Sr2CuO3 chosen in

calculations.

Representative results of calculations, including the Jahn-

Teller -deformed cluster

L. Siurakshina (LIT), V. Yushankhai(BLTP) et al. Nature Scientific Reports 1, 65 (2011), Phys. Rev. B, 2012 (in press).

Efficient computer codes and their application for calculations of electronic and magnetic properties in a variety of newly synthesized materials are discussed. The special attention is paid to local electronic structure of transition metal (TM) oxides, a particular family of strongly correlated systems. TM oxides (known also as 3d-metal oxides) have inspired a variety of applications using effects such as high-Tc superconductivity, colossal magnetoresistance, multiferroicity, etc.


LOCALIZED TIME-PERIODIC SOLUTIONS OF THE PARAMETRICALLY DRIVEN DAMPED NONLINEAR SCHRÖDINGER EQUATIONE.V. Zemlyanaya, I.V. Barashenkov, T.C. van Heerden, N.V. AlexeevaLaboratory of Information Technologies, JINRDepartment of Mathematics, University of Cape Town, South Africa

• Stationary, periodic and quasiperiodic two-soliton complexes of parametrically driven damped NLS have been investigated numerically• A chart of stationary and oscillatory two-soliton attractors on a plane of two parameters of NLS has been compiled• Stable stationary and time-periodic complexes are shown to coexist; interconnection between coexisting branches of soliton solutions is analyzed


Computer algebra and quantum computing. Computer algebra and quantum computing. Computing tools of a new generationComputing tools of a new generation

• Methods and algorithms to speedup simulation of heavy ion propagation in matter for LHC and "SHINE" experiments in CERN.

• Further development of original (involutive) algorithms and their implementation in Maple, Mathematica, C/C++.

• Cellular automata studies on three-valent lattices with symmetric local rules and their application to simulations of new carbon based materials.

• Parallel algorithms for elliptic problems based on high order projective-grid schemes.

• Further development of the Bayesian adaptive quadrature.

• Involutive algorithms and programs for modeling multi-qubit quantum register by means of polynomial equations.

• Numerical solution of problems simulating complex quantum micro-objects and micro-systems.

• Symbolic-numeric algorithms for modeling atomic systems and quantum dots in external fields (qubit realization in quantum computers).

• Self-consistent theory for Bose condensation in systems with strong stochastic potentials directed to devising quantum computation control. Entanglement adjustment in cold atoms traps with coherent topological modes for quantum information processing.

• Analytical and numerical solutions of evolution and spectral problems for the transmission of quantum information in nano-dimensional quantum systems. Modeling optical fibers transparent to signals with given spectral characteristics.

• Symbolic-numeric algorithms and programs for quantum objects interacting with time-dependent magnetic fields.

• Non-standard extension of the circle and ellipse fitting algorithm developed for the CBM experiment outside physics.

Specific topics are proposed for investigation in Specific topics are proposed for investigation in collaboration with several JINR Laboratories (BLTP, collaboration with several JINR Laboratories (BLTP, VBHEPL, FLNP), CERN, and with research centers VBHEPL, FLNP), CERN, and with research centers from Russia, Germany, Slovakia, Romania, Vietnam, from Russia, Germany, Slovakia, Romania, Vietnam, Mongolia, Armenia, Bulgaria, South Africa, and other Mongolia, Armenia, Bulgaria, South Africa, and other countries.countries.


Computational biophysics, bioinformatics, and Computational biophysics, bioinformatics, and biosensor (nano)technologiesbiosensor (nano)technologies

• New methods in computational biophysics for: molecular cartography of protein and nucleic acid surfaces; multiple spatial smoothing of protein-DNA interfaces; computation of electrostatic potential of biopolymers and macromolecular structures (long DNA, membranes, protein and polymer nano-layers, ribosomes).

• Distributed computing multi-grid methods for Poisson-Boltzmann equation with application to physical bioinformatics (reciprocal protein-nuclein recognition, ferment-substrate and ferment-ferment interactions).

• Distributed computing in computational biosensor nanotechnology (data basis for immobilized proteins, expert system for biosensor design).

• Realization of an artificial neural network (ANN) expert system to automatically identify the wheat cultivar from electrophoretogram spectra.

• Investigation of the evolution of biological systems with complex behavior demonstrating dynamical phase transitions and strong non-linear effects. Complex system dynamics control by parametric regularization.

Specific topics are proposed for investigation in Specific topics are proposed for investigation in collaboration with several JINR Laboratories collaboration with several JINR Laboratories (FLNP, FLNR, BLTP, LRB) and with research (FLNP, FLNR, BLTP, LRB) and with research centers from Russia, Slovakia, Romania, Vietnam, centers from Russia, Slovakia, Romania, Vietnam, Mongolia, Armenia, Bulgaria, South Africa.Mongolia, Armenia, Bulgaria, South Africa.


MATHEMATICAL MODELING AND MATHEMATICAL MODELING AND COMPUTATIONAL PHYSICS 2011COMPUTATIONAL PHYSICS 2011Stara Lesna, High Tatra Mountains, SlovakiaStara Lesna, High Tatra Mountains, Slovakia

July 4 – 8, 2011July 4 – 8, 2011

OrganizersJINR, LIT (Dubna) Institute of Experimental Physics (Košice, Slovakia)Technical University (Košice, Slovakia)Pavol Jozef Safarik University (Košice, Slovakia)

Topics– mathematical methods and tools formodeling complex physical and technical systems– methods and computer complexes for experimental data processing– methods, algorithms, and software of computer-algebra– computational chemistry, biology, and biophysics– new generation computing tools, distributed scientific computing


http:// nec2011.jinr.ru


http:// lit.jinr.ru

http://litpage.jinr.ru


The formation of a unified Grid-environment of the JINR Member States is a basis of the 7-year plan within the direction Networks. Computing. Computational Physics.There are three main levels within the Grid-environment:

network, resource and applied. The network level deals with high-speed backbones and

telecommunication links. The resource level consists of high-performance

computing clusters, and data storage systems joined in a unified Grid and cloud environment with the help of basic software and middleware.

The applied level involves research topics the solutions of which have been adapted to the Grid&cloud environment in frames of corresponding virtual organizations.

Future:Future: basic principles and general basic principles and general perspectives perspectives


4343

Current hot topics are clouds, multicore, virtualisation, hybrid computing technologies

Will they still seem important in 2020?


Applied level developments of the JINR Grid-environment (I)1. The applied level covers the user applications

working in a virtual organization (VO) environment which comprises both users and owners of computing resources.

2. In the existing Grid-systems, a VO defines a collaboration of specialists in some area, who combine their efforts to achieve a common aim.

3. The virtual organization is a flexible structure that can be formed dynamically and may have a limited life-time. VOs working within the WLCG project are the VOs on the LHC

experiments - ATLAS, CMS, Alice, LHCb, the first three being carried out with the noticeable and direct participation of the JINR. Nowadays, as a Grid-segment of the EGEE/RDIG, the JINR CICC supports computations of the virtual organizations registered in RDIG ( LHC experiments, BioMed, PHOTON, eEarth, Fusion, HONE, Panda.

In the future, as the interest arises at a large-scale level, VOs can be organized at JINR in the fields of nuclear physics and condensed matter physics and, most probably, in the new promising direction related to the research of the nanostructure properties.


The creation of new VOs gets possible and necessary under maturation of the algorithmic approaches to the problem solution, the development of corresponding mathematical methods and tools:

methods and tools for simulation of physical processes and analysis of experimental data software and computer complexes for experimental data processing;

numerical methods, algorithms and software for modeling complex physical systems;

methods, algorithms and software of computer algebra;

new computing paradigms; adaptation of specialized software for

solving problems within the Grid-environment.

Applied level developments of the JINR Grid-environment (II)


Thank you for your attention !Thank you for your attention !Thank you for your attention !Thank you for your attention !

Documents

V.V. Ivanov (LIT JINR) GRID’2012, JINR, Dubna INFORMATION TECHNOLOGIES in JINR ACTIVITIES Victor V. Ivanov Joint Institute for Nuclear Research Laboratory