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4th PRAGMA Workshop

Scheme of Presentation. PART A: About the University and recent initiatives takenPART B: Research

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4th PRAGMA Workshop

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    1. 4th PRAGMA Workshop June 5-6, 2003 Melbourne, Australia Institutional Update by Arun Agarwal University of Hyderabad INDIA

    2. Scheme of Presentation PART A: About the University and recent initiatives taken PART B: Research & Application Areas PART C: Regional Network/GRID activity PART D: Efforts in Cluster/GRID Computing

    6. Research Performance Average Output per Faculty Publications 2.75 2.80 2.79 Research Projects 0.53 0.58 0.59 Ph.D. Supervisions 3.80 3.70 3.82 Ph.D. Awards 0.40 0.53** 0.63** Other Degrees 3.00 2.90 2.80 Five year average is 1.98 (425 PhD/215 faculty on average) ** No. of PhD Theses submitted included NOTE: Based on average number of faculty

    7. Recognition one of the five universities in the country recognized by the UGC as a University with potential for excellence accredited by NAAC with five stars several departments received special funding from UGC, DST, under: SAP, DRS, COSIST, FIST programmes etc. among the 8 Institutions in the “High Output – High Impact” Category

    8. Awards and Honours-National Padma Bhushan Padma Shree Shanti Swaroop Bhatnagar Award INSA Young Scientist Medal INSA Fellowship INSA Ramanujan Research Professorship FNA, FAMS, FNASc, FASc, FNAAS FICC, F.Inst.P., C. Phys UGC National Fellowship UGC National Lectureship UGC Career Award AICTE Career Award Sahitya Akademi Award G.D. Birla Award Meghnath Saha Award Ghurye Award in Sociology FICCI Award Hari Om Trust Award BOYSCAST Fellowship of the DST Swarna Jayanti Award National Metallurgist Award of Ministry of Steel Univ. has provided Directors, Vice-Chancellors etc. to other institutions

    9. Awards and Honors-International UNESCO Travel Grant UNESCO Young Scientist Award UNESCO ROSTCA Award Max Born Award in Quantum Physics Fellow of Institute of Physics, London Alexander von Humboldt Award & Fellowships Fellowship of the Third World Academy of Sciences Fulbright Fellowships Commonwealth Fellowships Fellowship of Royal Society of Literature, London Fellow of Bunsen Society, Germany Editorship of reputed international journals Honorary Doctorates from reputed universities Third World Academy Award, Trieste

    10. Infrastructure Recent Initiatives

    13. SOFTWARE ACCELRYS Suite: GCG Wisconsin with SeqMerge, Grail Pro; Insight II; Felix; Material Studio; Cerius 2; Mathematica, Statistica, Matlab with tool boxes, RATS, GAMS, SPSS Version 11.0 VLSI Simulator (Verilog + VHDL) Sythesizer Xilinx bundled platform, Placer and Router, Waveform Analyzer, FPGA Hardware, etc ADF, Gaussian03, Spartan, Mopac2000 AVID, 3D Studio Max

    14. Other Initiatives A Proposal is at an advanced stage for Establishment of a 1 TeraFlop High Performance Computing Facility Discussion on setting up of IBM Competence Centre in Mobile Computing Construction of International Guest House Creation of Visiting Faculty programme

    16. Research & Application Areas Molecular Medicine Molecular Modelling Molecular Dynamics Monte Carlo Simulations Drug Design and Delivery VLSI Circuit Testing Communication Channel Evaluation Protocol Design and Validation Materials Study Economic Development Social Empowerment Sociological and Historical Data Base Building and Mining Natural Language Processing Marketing Models

    17. Projects Requiring High Performance Computing Problems in Genomics & Bioinformatics Biosequencing analysis Structural and functional genomics to map protein coding regimes and sequencing of DNA Wavelet methods to differentiate between normal and cancerous tissues Mathematical models to relate sequences of amino acids to specific details of protein folding

    18. Problems in Molecular Modelling, Quantum Chemistry and Computational Drug Design:   Homogeneous and Heterogeneous Catalysis involving transition metals using ab initio Quantum Chemical Methods Combined Molecular Mechanical and Quantum Mechanical Approaches in Rational Drug Design - Drug Receptor Interactions and chiral discrimination Design of molecules with large hyperpolarisabilities for fabricating efficient nonlinear optical materials Computational Studies to design hard materials to replace industrial diamonds  

    19. Problems in Electronic structure calculations on Molecular Materials Molecular Magnetics Spin interactions in polyradicals Design of Molecular Switches Computational Modelling of polymorphs Intermolecular interactions in Material Design Development of systematic graph-based approaches to the analysis of interaction pathways in condensed matter

    20. Problems in Physics (involving Monte-Carlo and Molecular dynamics simulations)    Large scale phenomena – collective fluctuations near critical point Colloidal emulsions – formation of new topological defects Phase stability of multicomponent mixtures - role of molecular structures Thin films under antagonistic boundary conditions – interface phenomena Confinement to restrictive geometry - effect on phase transitions Advanced Monte Carlo (MC) methods - study of finite size effects Restricted diffusion under confinement - role of surface interactions

    21. Problems in Computer Science and Artificial Intelligence Model the details of language acquisition in the mental lexicon and to use this knowledge to process natural languages effectively on a computer Problems in Computer Vision, Pattern Recognition, Image Processing particularly, applications such as Hand-Eye Robot Control, Stereo Vision, Clustering etc. Cognitive neuroscience - modeling of learning, neural nets, memory, discrimination and categorization Computational intelligence - quantum computation, neural computers, and evolutionary algorithms

    22. PART C Existing High Bandwidth Infra-structure 1 Gbps Campus Wide Optical Fibre Backbone University an ERNET Medium PoP facility: 2/8 Mbps link to Bangalore, Chennai, Kolkata, which in turn is connected to Pune, New Delhi, Mumbai etc

    25. Regional Initiatives Proposed participation with CDAC for establishment of I-GRID. Each node in the grid would have 1 Teraflop processing capability.

    26. PART D Efforts in Cluster/Grid Computing

    27. Current Projects/Research in CC CONDOR: Most promising of all. University Of Wisconsin, MADISON Heterogeneous Environment NOW/GLUnix: Sun Microsystems, Berkeley Univ, CA. Beowolf: Linux based cluster – SGI *LSF: HP’s cluster software *Load Leveller: IBM’s – PSU – USA *CODINE/DQE etc., *All these are originally from CONDOR and different variations on basic version of CONDOR

    28. Classification of CC Based on Focus High Performance: Challenging Applications High Availability: Mission Critical Applications Based on Ownership Dedicated Clusters Non-Dedicated Clusters Based on Node Architecture COPS:Cluster of PCs, CLUMPS: Cluster of SMPS COWS:Cluster of Workstations Based on OS Type Based on Architecture: Homogeneous,Heterogeneous Based on Number of nodes

    29. Cluster Computing Developments in UH/ADRIN Developed a Heterogeneous High Throughput Computing Cluster using all the existing machines. Built a High Availability Clusters for mission critical applications using COTS technology. Extensions to Grid Technology

    30. Comparison with GLUnix and Condor

    32. Cluster View in UH

    33. PGFS Design & results

    35. Score Based Match Making Framework

    36. Our Load Sharing/Load balancing Approach Our Approach Condor GLUnix Centralized -do- Centralized and hierarchical Adaptive -do- -do- Server Side Bidding NA NA Sender Initiated -do -do- Pre-emptive -do- -do- Node state based -do- -do- Group Scheduling Single Single Best Combination Best Fit Best Fit

    37. High Availability Cluster using RS-232 link

    39. Adding A Node into the CLUSTER

    40. Owner Constraint Form

    42. Existing Cluster Configuration in ADRIN

    43. Future direction of Work Grid scheduler design & implementation Integrate PGFS with PVM and MPI Compare the results of scheduler design with other Augment Windows NT/XP OS to SSI layer

    44. Developments towards GRID Extending the philosophy of “Score Based Scheduler” to design a scheduler, which will aim at maximizing the Cluster utilization in UH Extend the interfaces to support submission of jobs over the internet. Include security features to protect the internal information and also maintain complete confidentiality of the submitted jobs.

    45. Efforts in Bioinformatics

    46. Our Mission “the theoretical modeling of the living processes with the final objective of application or manipulation of living system for betterment of the quality of human life”

    47. Objectives pure theoretical research: genomics and proteomics and related topics. Studies leading to discovery of new genes etc. Protein structure and function studies. Interrelation and interdependence of cellular subsystems semi-applied research: Diseases and cures. Preventive medicines. Genetic defects. Other related research applied research: Drug discovery and drug design. Development of tools. development of bioinformatics tools (database management, intelligent tools, new algorithms for searching etc.) software designs: to use the exiting data for some given application. new tools of verification of algorithms This is an area that needs lots of attention as we must ensure that the software does what it is supposed to do and there is no side-effects Biocomputing development of teaching material: We need new people to continue old knowledge and add new ideas. (new ideas come from the young generation) information sharing (e.g., development of web based resources; rice genomics).

    50. Automated DNA Sequencing Facility (MegaBace 500) Plant Molecular Genetics & Rice Functional Genomics Laboratory University of Hyderabad Total number of clones sequenced :15,000 Sequencing for EST generation [Gene Discovery] :10,000 Number of Expressed Rice Genes Generated and deposited in GenBank as on April 30, 2003 : 6,000 GenBank Accession No’s: BI305180 to BI306756, BU672765 to BU306756, CB964418 to CB967504.

    51. THANK YOU

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