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Date

18 2016

Goals

  • Hands-On experience on using science gateways
  • Experience CIPRES, SEAGrid, NSG and Airavata Test-Drive Gateways.
  • Insights from Gateways Experts
  • Create an account on each Gateway
  • Run simple jobs using each Gateway
  • Learn Learn more about more the complex features/capabilities of each Gateway

Tutorial Agenda

 

Time
Item
Topic
Who
SpeakerNotes
8:00 - 8:15
1.30 pm - 1.40 pmWelcome
Introduction
Marlon Pierce
  • Introduce the team, the Gateway concept, and the audience members

  • Slides

: XSEDE16-GatewaysForNewUsers.pptx
  • (URL)

  • Any necessary downloads and installations

  • Tutorial Notes

8:15 - 9:00

1.40 pm - 2.30 p-

CIPRES Gateway/NeuroScience Gateway

  • Introduction (12 min)

  • Hands-on Browser interface (

28
  • 12 min)

  • Create Account/Login

  • Sequence Alignment

  • Tree Inference

  • NeuroScience Gateway (6 min)

  •  Feedback/Questions (5 min)

 Mark Miller/Amit Majumdar
   
  Input
   
    • : Second Party Tree Viewer

Slides: MarkMiller_XSEDE2016_tutorial1b.pptx

2.30 pm - 3.00 pm
9:00 - 9:45

NeuroScience Gateway

  • Overview: What does NSG do?

  • Hands on: Download Jones model from ModelDB site, and run on Comet using the NEURON tool.

  • How to use NSG - presentation

  • Feedback/Questions

Amit Majumdar 
9:45 - 10:00Summary of Session 1 Summary and Preview of Session 2 Marlon Pierce  10:00 - 10:30
3.00 pm - 3:30 pmBreak: Install Java and SEAGrid desktop client, create an account  
10
3:30 pm -
11
4:
15
30 pm

SEAGrid Gateway

  • Overview

  • Hands on

  • Create accounts

  • Simple file upload and submit jobs for Gamess and Gaussian

  • CSD (crystal structure DB search) to create an input and use Nanocad and Gaussian GUI for further manipulation and submit a job.

  • Use Jamberoo to edit structures and Gamess GUI and submit jobs.

  • Use Jamberoo for Post Processing and Data Grid for automated post-processed data and web interface for sharing collaboratory.

  • Feedback

 Sudhakar Pamidighantam
  • Useful links:

    • Clients: Download - Mac, Linux and Windows clients available

    • Mac Users: Use control-click-open to open the SEAGrid desktop client the first time.

    • Inputs



11:15 - 11:45
  • Slides (URL)

4.30 pm - 5.00 pm

Lightning Round: dREG, ChemCompute, and Campus Gateways

PGA

Overview

Hands on: WRF

Feedback

Suresh Marru 

 11:45 - 12:00

Marlon Pierce

Slides
4.50 pm - 5.00 pm

Closing remarks

 Summary and follow on: Bring us your Gateway needs!

Building science gateways with SciGaP tutorial preview

More about the XSEDE science gateways program

Science Gateway Institute

Marlon Pierce Slides
: XSEDE16-SciGaP-Closing.pptx
(URL)