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GridChem Developers Conferece New Collaborations

Explore the types of collaborations and hardware resources available at the GridChem Developers Conference. Learn about software integration, support services, and consulting opportunities. Discover collaborations with hardware resource providers and applications providers. Join us on August 23, 2006, at NCSA.

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GridChem Developers Conferece New Collaborations

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  1. GridChem Developers ConfereceNew Collaborations Sudhakar Pamidighantam NCSA August 23 2006

  2. Types of Collaborations • Hardware Resource Providers • Applications Providers • Software integration • Support Services • Consulting

  3. Hardware Resources • Teragrid • OpenScience Grid • SuraGrid • Other Science Gateways

  4. Resource Specifics • Teragrid We have a starter allocation and starting to integrate the resources NCSA Cobalt G03 is ready Several applications have been already available on Co Integration work in progress on Gamess, NWChem, ADF, Amber, Cpmd, gromacs, molcas, molpro, namd and Wien2K are available to be integrated

  5. TeraGrid Applicationshttp://hpcsoftware.teragrid.org/Software/user/by_fos.php?p=0|183|#183 Abinit NCSA:cu PSC:Lemieux,bigben Amber NCSA:Cu,tun,co,Hg; PSC: Lemieux,bigben; SDSC: tg-login, datastar; TACC: lonestar Cpmd NCSA Hg, Cu, Co SDSC: Datastar DlPoly NCSA Cu,tun, SDSC:Datastar Gamess NCSA:tun,cu, PSC:lemieux,bigben; SDSC:tg-login, datastar;TACC:Lonestar G03 NCSA:cu,tun,co,hg;PSC:lemieux,bigben,Purdue:ia32cluster Gromacs NCSA:cu,tun,hg,co;PSC:lemieux;SDSC:bluegene,datastar,tg-login Jaguar NCSA:cu LAMMPS PSC:bigben MacromodelNCSA:cu Molcas NCSA:cu,co Molpro NCSA:cu,tun MPQC PSC:bigben,lemieux NAMD NCSA:co,cu,tun,hg; PSC:Lemieux,bigben; SDSC:datastar,tg-login; TACC:lonestar NBO NCSA:cu NWChem NCSA:cu,co,tun,hg; PSC:lemieux; SDSC:datastar; TACC:lonestar PMEMD PSC:lemieux QChem NCSA:Cu VASP NCSA:cu,tun,hg Wien2K NCSA:cu,tun,hg

  6. Other Teragrid Resources Usable Resources need to be determined Among these and prioritized IU Purdue NCSA ORNL Purgue PSC SDSC TACC UC/ANL http://www.teragrid.org/userinfo/hardware/index.php

  7. Open Science Gridhttp://osg-cat.grid.iu.edu/66 Sites in ProductionPaul Avery

  8. SuraGridhttp://www.sura.org/programs/sura_grid.htmlMary Yafchak

  9. Science Gateway Interactions • Nanohub • Bioportal • CSE_Online • NBCR Thanh Truong from CSE-online to talk on Thursday.

  10. Other Research Applications • QMC_PACK ( Just added into production) Jeongnim Kim, David Ceperly, UIUC • NanoGromacs Eric Jakobsson, UIUC • Gromacs Masa Watanabe, UC Merced • Qauntum MD Integration Todd Martinez UIUC, Mark Gordon, U. Iowa(Ames Labs) • Reaction Modeling Interfaces Kim Baldridge U. Zurich

  11. Education Collaborations • Shodor Education Organization Bob Panoff, Shodor, Shawn Sendlinger(UCC)

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