thaigrid from infrastructure to services and beyond.event.twgrid.org/isgc2008/presentation...
TRANSCRIPT
ThaiGrid : From infrastructure to services and beyond.
Putchong Uthayopas, ThaiGrid, SIPA
Piyawut Srichaikul, NECTEC
Thai National Grid Project
• A National Project under Software Industry Promotion Agency (Public Organization) , Ministry of Information and Communication Technology
• Started in 2005• Start from 14 member organizations and
expanded to 21 organizations in 2007• Goal
– Building the next generation E‐infrastructure for Thailand using Grid computing Technology as an enabling technology
Project Organizational Structure
21 members21 members
Strategy 1: Creating Grid human resources
• Encouraging the teaching in grid and parallel computing by creating the educational platform
• Community• Equipment• Courseware• Standard
• Material for 3 training course– Basic Grid Computing – Grid Administrator– Grid for Developers
• Material for 3 university level undergraduate and graduate program are being developed– Introduction to grid computing– Intermediate Grid computing – Grid computing for Enterprise
Important Statistics
• Train more than 800 people during 2006‐2007– More than 600 people passed the training workshop at various level
– Grid and parallel computing has been taught in 5 major university producing more than 200 grid‐enable CSE
• We are pushing for more than 1000 people this year in
Strategy 2: Building the Grid Infrastructure
• Thai Grid infrastructure is now functioning well• TERA Cluster
– Installed at Thai National Grid Center – Start to provide the service on July 11, 2007– 200 nodes = 800 cores of Intel Xeon 3.0GHz– Rmax 2.5 Tflops (Rpeak 4.6Tflops)
• Satellite Cluster– 14 clusters installed at each member institute– Each cluster has 5 nodes = 10 CPUs of Intel Xeon 2.8GHz
• Institute Cluster– Existing cluster owned by some institutes– 3 institutes
• Total number of CPU core now ~1,000 cores
WUPSU
CMU
SUT
KKU
BU
KMITNB
KMUTT
KMITL
TMD
KU
SU
MUCU
AIT
Tera
More than 1000 CPUs (August 2007)!
21 clusters from 16 sitesaround Thailand
21 clusters from 16 sitesaround Thailand
Grid Middleware
• Still sticking with Pre‐ws base services– GT4 is installed in every member institutes, thus enable only Pre‐ws for now
• Some institutes is moving to GT4– 4 Institutes pass WS‐Gram test
• Newly created services will base only on Web‐services base technology or WSGram
ThaiGrid Infrastructure usage
• ThaiGrid provides more than 111 years of computing time for member– 7 years on the grid
– 104 years on tera
• 31 projects from 8 areas are being support on Teraflop machine
• More small projects on each machines
Strategy 3: Driving the Grid Adoption
Building a Domain Specific Gridfor E‐science
Services on the Grid
• CSE Online• Drug design Portal using Gridway • TAVERNA• Animation Grid using Web Services infrastructure
• Other commercial software provided in the collaboration with users– Fluent– Materials Studio
Example of upcoming grid portal and e‐services
• Virtual Research Center http://vrc.thaigrid.or.th/vrcWeb– Realtime e‐learning anfd collaboration
support
• http://biogrid.thaigrid.or.th/– Bioinformatic data and service
– Partners: PSU, Mahidol, KU, Chula, Biotec, and University of Manchester
• Drug Discovery Portal – Chula, KU
– Job submission, vitual screening, database
• Animation Portal
– Partners: Siam university, Thai Grid
BioGrid
• Building Grid infrastructure for Bio‐informatics researcher in Thailand
• Building network of bio‐informatics researchers
• Using TAVERNA + Web services to drive job workflow
• Partners– Prince of Songkla University– University of Manchester– Mahidol University– Kasetsart University– Thai National Grid Center
• Result– A web‐based portal for Life‐science
Grid base on TAVERNA is being developed
– A network of Thai‐International researches is created
– Activities
Drug Design Grid
• Building Grid‐base Drug Design infrastructure
• Platform in Drug design grid– CSE‐Online to drive drug design job
– Portal site + Meta scheduler to distribute the job
• Partners– Chulalongkorn University
– University of Utah
– Thai National Grid Center
Collaboration Grid
• Using the Grid to drive “Virtual Research Group”, making the collaboration between institutes more close
• Partners– KMUTT, CU, KMITNB, KU– Thai National Grid Center
• ConferenceXP is currently in action– Portal site to manage meeting– ConferenceXP is used for communication
Computational Fluid Dynamics
• Creating an environment for driving CFD simulation• Partners
– Kasetsart University– Thai National Grid Center
• CFD for research– Using existing software, such as FLUENT, in cluster level– Collaborating with Microsoft to utilize WindowsHPC cluster
• CFD for industry– Utilizing the use of virtual cluster for secured cluster environment
– A proof‐of‐concept platform is being developed
Selected CaseModel with Winglet, Diffuser and Rearview mirror
Velocity Vector
Impact of blood flow heat transfer during cancer treatment with Hyperthermia
method
• Influence of seed number and configuration on generated thermal field. Temperature in K.
NanoGrid
• Provide platform to help processing nanotechnology simulation
• Partners– Computational Nano Science
Consortium (Thailand)– Thai National Grid Center– Accelrys Software Inc.
• Nanotechnology usage in Thailand– Using Materials Studio, software from
Accelrys co. ltd. in cluster level– Providing back‐end computing
infrastructure to help nanotechnology research in Thailand
– TNGC participate in porting Materials Studio 4.2 for SGE
CNC members in Thailand
N
PSUPSU
KUKU HW & SWNANOTECNECTECThaiGridMUMU
CUCU
CMUCMU
KKUKKU
SUTSUTAITAIT
UBUUBU
Nitrous oxide (N2O) is a toxic pollutant gas in the atmosphere and a major cause of such greenhouse effect and global warming.
Here we investigate, computationally at nanoscale using Dmol3, reaction mechanisms of the decomposition of toxic N2O to a non‐toxic N2 gas over pristine‐ and Titanium decorated‐carbon nanotubes (Ti/CNTs).
By comparing activation barriers of such reaction on both catalysts, we found Ti/CNTs a strong candidate as catalyst in the removal of nitrous oxides (N2O).
N2O ReductionN2O Reduction
Results from the Adsorption Locator calculations show such probability to find hydrogen molecules (H2) in nanoporous materials. For the metal‐organic frameworks‐5 (MOF‐5), H2 specifically prefers to locate near the metal oxide clusters. No hydrogen molecule was found near the phenyl ring or at the center of the pore.
Unlike the MOF‐5, the zeolite imidazolate framework‐8 (ZIF‐8) shows different behavior on the adsorption of hydrogen molecule, which is likely to diffuse and locate in the pore space near the imidazole unit and infrequently settle in the zinc metal area.
MOF‐5
ZIF‐8
The behavior of H2 molecule in different nanoporous materials
2008/4/2 Free template from www.brainybetty.com 26
Blood Brain BarrierThe model predicts blood‐brain barrier (BBB) after oral administration.
Egan and Lauri., Advanced Drug Delivery Reviews , 2002, 54, 273–289
In 2002, Egan and Lauri reported BBB model that used to predicts blood brain penetration after oral administration.
Animation Grid• Provide environment for 3D
animation rendering in Thailand• Partners
– Siam University– Thai National Grid Center– Leading animation companies in
Thailand• Currently an open‐source project
on Sourceforge called “animagrid”– Utilize web services and existing
cluster and grid scheduler to distribute jobs
– Base on commercial‐grade renderer software, such as Autodesk Maya or Blender
Strategy 4: Driving Grid Research
• 2006‐2007– 2 National Conference on Grid computing (attendants 300‐500)
– 3 International workshops– 67 Publication papers from members
• 29 papers in 2006• 38 papers in 2007
• Research Area– Scientific computing in CFD, life science, physics, chemistry, math, Geo science
– Grid: middleware, application, algorithm, scheduling, tools
Strategy 5: Creating Grid Technology Awareness
• Seminar, talk, workshop– 9 events in 2006– 35 event in 2007 ( about 3 events monthly)
• 4 National Grid Competition (2000‐3000 people)– Leading Edge (with Microsoft Asia Pacific)
• University level : Engineering– National Supercomputing Contest (SCC) (HP)
• 200‐300 high schools– Multicore‐Championship (Intel)
• International Participation– APAN, PRAGMA, SC2006, SC2007, GridAsia
• News– National newspaper, magazine– International
Pilot Grid and Cluster infrastructureInteroperable MiddlewareBasic computational GridBasic Data GridPOC applications
Pilot Grid and Cluster infrastructureInteroperable MiddlewareBasic computational GridBasic Data GridPOC applications
Stable Grid and Cluster infrastructureInteroperable Middleware and basic servicesComputational GridData GridGrid PortalGrid applications R&E and Non production enterprise applicationsBroad academic adoptionLimited commercial adoption
Stable Grid and Cluster infrastructureInteroperable Middleware and basic servicesComputational GridData GridGrid PortalGrid applications R&E and Non production enterprise applicationsBroad academic adoptionLimited commercial adoption
Production Grid andCluster infrastructureRich set of servicesComputational GridEnterprise analysis GridData and knowledge GridCollaborative GridBroad commercial Adoption
Production Grid andCluster infrastructureRich set of servicesComputational GridEnterprise analysis GridData and knowledge GridCollaborative GridBroad commercial Adoption
Community driven model
Objective 2009‐2011
For more information please visit: http://www.thaigrid.or.th