ThaiGrid : From infrastructure to services and beyond. Putchong - PowerPoint PPT Presentation

ThaiGrid : From infrastructure to services and beyond. Putchong Uthayopas, ThaiGrid, SIPA Putchong_ut@thaigrid.or.th 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 members 21 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 – R max 2.5 Tflops (R peak 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 •

21 clusters from 16 sites 21 clusters from 16 sites around Thailand around Thailand CMU More than 1000 CPUs (August 2007)! KKU SUT AIT KMITNB KU Tera SU BU TMD MU CU KMITL KMUTT WU PSU

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 Grid for 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 Case Model 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 CMU CMU N KKU KKU SUT UBU SUT UBU AIT AIT HW & SW KU KU � NANOTEC � NECTEC � ThaiGrid MU MU CU CU PSU PSU

N 2 O Reduction N 2 O Reduction Nitrous oxide (N 2 O) is a toxic pollutant gas in the atmosphere and a major cause of such greenhouse effect and global warming. Here we investigate, computationally at Dmol 3 , nanoscale using reaction mechanisms of the decomposition of toxic N 2 O to a non ‐ toxic N 2 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 (N 2 O).

The behavior of H 2 molecule in different nanoporous materials Results from the Adsorption Locator calculations show such probability to find hydrogen molecules (H 2 ) in nanoporous materials. For the metal ‐ organic frameworks ‐ 5 ( MOF ‐ 5 ), H 2 specifically MOF ‐ 5 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 ZIF ‐ 8 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.

Blood Brain Barrier The model predicts blood ‐ brain barrier (BBB) after oral administration. In 2002, Egan and Lauri reported BBB model that used to predicts blood brain penetration after oral administration. Egan and Lauri., Advanced Drug Delivery Reviews , 2002, 54 , 273–289 2008/4/2 Free template from www.brainybetty.com 26

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