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MSE Presentation 1

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Objective: To develop software in Java that uses MD ... For water, the values of these parameters are: = 0.316555 nanometers and = 0.6501696 KJ/mole. ... – PowerPoint PPT presentation

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Title: MSE Presentation 1


1
MSE Presentation 1
  • Lakshmikanth Ganti
  • www.cis.ksu.edu/ganti/mse_pro.htm

2
Introduction
  • Vision Document
  • Project Overview
  • Project Requirements Specification
  • Project Plan
  • Work Breakdown Schedule
  • Cost Estimation
  • Architecture Elaboration Plan
  • Software Quality Assurance Plan
  • Demonstration

3
Overview
  • Objective To develop software in Java that uses
    MD simulation technique to simulate the
    interaction between atoms in a group of water
    molecules.
  • Use The results of the current simulation of
    water molecules are used in protein folding
    studies.
  • Direction
  • Inputs
  • Parameter Data file (.dat)
  • Initial Coordinates file (.pdb)
  • Velocities Data file (.dat)
  • Calculations
  • Outputs
  • Data File (.dat)
  • Final Coordinates file (.pdb)

4
Overview (Contd.)
  • Features
  • Multi-threaded programming
  • Paradigms for process interaction
  • Manager/Workers (Distributed bag of tasks)
  • Heartbeat Algorithm
  • Synchronization techniques
  • Hand threaded
  • Structured approach
  • Risks
  • Safety
  • Liveness
  • Deadlock
  • Achieve Max Speed up and efficiency

5
Project Requirements
  • General Requirements
  • Neat Interface
  • Statistical Data
  • API Documentation
  • User Manual
  • Design Specification
  • SQA Plan
  • Test Plan
  • Project Plan
  • Object Model and Interaction Diagrams

6
Project Requirements
  • Performance Requirements
  • Scalability
  • Speed up and efficiency
  • Different Synchronization Mechanisms
  • Read Data in a specified format
  • Stability constraints on data
  • Minimize memory usage
  • Hardware/Software Requirements
  • J2SDK V 1.2 or above
  • Processor speed 400 MHz or above

7
Work Breakdown Schedule
  • Inception Phase
  • Prototype Demo
  • Vision Document
  • Project Plan
  • SQA Plan
  • Elaboration Phase
  • Architectural Baseline
  • Critical Use Cases
  • Second Executable Prototype
  • Production Phase
  • Coding

8
Work Breakdown Schedule
  • Testing Phase
  • Unit testing
  • Integration Testing
  • Documentation Phase
  • Artifacts developed during earlier phases
  • User Manual
  • Test Report
  • Evaluation Report

9
Project Plan
  • Phase 1 RequirementsDeliverables Overview,
    Requirement Specification, Cost Estimation,
    Software Quality Assurance Plan (SQAP) and a
    Project Plan
  • First Presentation January 9th 2004
  • Phase 2 DesignDeliverables Overall Design,
    Formal Specifications, Test Plan and a Formal
    Technical Inspection
  • Second Presentation - February 9th 2004
    (Tentative)
  • Phase 3 FinalDeliverables Source Code, Tests,
    User Manual
  • Final Presentation April 22nd 2004 (Tentative)
  • A Project Time Log will be maintained at all
    times.

10
Cost Estimation
  • The cost and size of developing the application
    are estimated
  • using
  • Functional Point Analysis
  • Constructive Cost Model (COCOMO)

11
Cost Estimation
  • Functional Point Analysis
  • Sequential Program
  • Process Complexity Adjustments .65 0.01
    (sum of influence ratings) .93
  • FPadjusted FPunadjusted (.65 0.01 (sum of
    ratings)) 71 (.65 .01 (28)) 66.03
  • Source lines of code (SLOC) FP Language
    Factor (for Java) 66.03 40 2641.2
  • Parallel Program
  • Process Complexity Adjustments .65 0.01
    (sum of influence ratings) .98
  • FPadjusted FPunadjusted (.65 0.01 (sum of
    ratings)) 71 (.65 .01 (33)) 76.44
  • Source lines of code (SLOC) FP Language
    Factor (for Java) 76.44 40 3057.6

12
Cost Estimation
  • COCOMO

TDEV Programmer Productivity Development Time (Month)
Application Programs PM 2.4 (KDSI) 1.05 PM 2.5 (PM) 0.38
Utility Programs PM 3.0 (KDSI) 1.12 PM 2.5 (PM) 0.35
System Programs PM 3.6 (KDSI) 1.20 PM 2.5 (PM) 0.32
13
Cost Estimation
  • COCOMO
  • Sequential Program
  • Person Month PM 2.4 (KLOC) 1.05 2.4
    2.6 1.05 6.5
  • Development Time (Months) TDEV 2.5 (PM)
    0.38 2.5 6.5 0.38 5.1
  • Average Staffing Levels ASL PM / TDEV
    6.5/5.1 1.27
  • Parallel Program
  • Person Month PM 2.4 (KLOC) 1.05 2.4
    3.05 1.05 7.75
  • Development Time (Months) TDEV 2.5
    (PM) 0.38 2.5 7.750.38 7.36
  • Average Staffing Levels ASL PM / TDEV
    7.75/7.36 1.05

14
Architecture Elaboration Plan
  • Action Items
  • Updated Vision document
  • Updated Project Plan
  • Formal Requirement Specification
  • Architecture Design
  • Test Plan
  • Formal Technical Inspection
  • Executable Architecture Prototype

15
SQA Plan
  • Management
  • Organization
  • Roles
  • Tasks Responsibilities
  • Documentation
  • Software Requirements Specification
  • Software Design Description
  • Software Test Plan
  • Software User Manual

16
SQA Plan
  • SQA Program Requirements
  • Standards
  • Metrics
  • Software Documentation Audit
  • Requirements Traceability
  • Software Development Process
  • Project Reviews
  • Testing and Quality Check
  • Training

17
Demonstration
18
Particle-Particle (PP) Method
  • Timestep loop of PP method
  • 1. Compute forces.
  • Clear force accumulators
  • for i 1 to Np do
  • Fi 0
  • Accumulate forces
  • for i 1 to Np 1 do
  • for j i 1 to Np do
  • Find force Fij of particle j on particle I
  • Fi Fi Fij
  • Fj Fj Fij
  • 2. Integrate equations of motion
  • for i 1 to Np do
  • Vinew Viold (Fi/mi)DT
  • Xinew Xiold ViDT
  • 3. Update time counter
  • t t DT

19
Lennard-Jones Force
20
  • ? and ? are the specific Lennard--Jones
    parameters, different for different interacting
    particles.
  • r is the distance between the interacting
    particles.
  • For water, the values of these parameters are ?
    0.316555 nanometers and ? 0.6501696 KJ/mole.

21
Questions
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