Molecular Science Software Suite MS3 (Note ""3"" in ""MS3"" should be superscript)

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2007-11-13 - GLORIAD News Wire: GLORIAD Korea's KISTI Relies on Force10 Networks for Supercomputer Build. Full article

2007-10-03 - GLORIAD Press Release: SAGE-enabled Cyberspace Demonstration over GLORIAD Takes Place as Part of Spu. Full article

2007-09-24 - GLORIAD Press Release: USA and Russian GLORIAD Partnership Building Lightpath for International Geoscience Collaboration. Full article

2007-07-31 - GLORIAD Update July 2007 Issue release. Full article

2007-07-15 - Official GLORIAD-2007 Map Release. Full article

Project: Molecular Science Software Suite MS3 (Note ""3"" in ""MS3"" should be superscript)

Description: Molecular Science Software Suite (MS3) is a unique, comprehensive, integrated suite of software that enables computational chemists to focus their advanced techniques on finding solutions to complex issues involving chemical systems. It is the first general-purpose software that provides access to high-performance, massively parallel computers for a broad range of chemists on a broad range of applications. MS3 lets chemists easily couple the power of advanced computational chemistry techniques with existing and rapidly evolving high-performance, massively parallel computing systems. A multidisciplinary team of scientists and computer experts at Pacific Northwest National LaboratoryÕs Environmental Molecular Sciences Laboratory (EMSL) developed MS3. MS3 consists of three components: 1) the Extensible Computational Chemistry Environment (Ecce), 2) the Northwest Computational Chemistry Software (NWChem), and 3) Parallel Software Development Tools (ParSoft). Working is currently underway to integration Globus Toolkit 2.2 support into the Eccc portion of the software to allow the use of Grid-enabled resources in MS3

Participants: Pacific Northwest National Laboratory (PNNL) Science Computing Facility

Sponsors: Department of Energy

Countries Involved: US

Tools: Globus Toolkit 2.x (GridFTP, GRAM, GSI)

Contact: Don Jones

Additional Info: GRAPHICS: http://ecce.emsl.pnl.gov/images/ms3_logo.gif

Current 25 Top Users of GLORIAD During Last Hour (since 2010-07-26 06:00:00 (Central Standard Time))
Total Gbytes transferred during last hour: 126.61 GB ; Total Gbytes transferred during last 24 hours: 2,042.70 GB
Associação Rede Nacional de Ensino e Pesquisa (Campos) > Institute of High Energy Physics, China Academy of Sciences (Beijing) (Unknown (TCP) 22680 Mbytes)
National Center for Atmospheric Research (Boulder, CO) > CERNET (University in Qingdao) (Qingdao) (HTTP 6610 Mbytes)
Fermilab (Batavia, IL) > Institute for Theoretical and Experimental Physics (ITEP) (Moscow) (Other (TCP) 5690 Mbytes)
Fermilab (Batavia, IL) > Joint Institute for Nuclear Research (Dubna) (Other (TCP) 5670 Mbytes)
Fermilab (Batavia, IL) > Institute of High Energy Physics, China Academy of Sciences (Beijing) (Other (TCP) 5450 Mbytes)
National Aeronautics and Space Association (Hampton, VA) > Institute of Atmospheric Physics, China Academy of Sciences (Beijing) (FTP 5090 Mbytes)
National Aeronautics and Space Administration (Mountain View, CA) > Institute of Remote Sensing Applications, China Academy of Sciences (Beijing) (FTP 4700 Mbytes)
Fermilab (Batavia, IL) > Yunnan University (Kunming) (Other (TCP) 4220 Mbytes)
Fermilab (Batavia, IL) > Kurchatov Institute, Russia (Moscow) (Other (TCP) 4190 Mbytes)
National Aeronautics and Space Administration (Mountain View, CA) > Institute of Geographic Sciences and Natural Resources Research, China Academy of Sciences (Beijing) (FTP 3420 Mbytes)
University of California, San Diego (La Jolla, CA) > Kurchatov Institute, Russia (Moscow) (Other (TCP) 2780 Mbytes)
Massachusetts Institute of Technology (Framingham, MA) > HUST - Wuhan Urban Construction Institute (Beijing) (HTTP 2390 Mbytes)
National Institutes of Health (Bethesda, MD) > Beijing Genomics Institute, China Academy of Sciences (Beijing) (Other (TCP) 1950 Mbytes)
China Science & Technology Network (Guangzhou) > National Library of Medicine (Rockville, MD) (Other (UDP) 1790 Mbytes)
Purdue University (West Lafayette, IN) > Institute of High Energy Physics, China Academy of Sciences (Beijing) (Unknown (TCP) 1750 Mbytes)
The Center for Earthquake Analysis and Prediction > University of Washington (Seattle, WA) (Unknown (TCP) 1450 Mbytes)
Institute of High Energy Physics, China Academy of Sciences (Beijing) > Energy Sciences Network (Berkeley, CA) (Other (TCP) 1130 Mbytes)
Oklahoma State University (Stillwater, OK) > IIINT (Beijing) (Unknown (UDP) 1040 Mbytes)
Cornell University (Ithaca, NY) > NAO, China Academy of Sciences (Beijing) (FTP 1030 Mbytes)
NOAA-Boulder (Boulder, CO) > Institute of Oceanography China Academy of Sciences (Qingdao) (Other (TCP) 970 Mbytes)
National Center for Atmospheric Research (Boulder, CO) > CERNET (University in Chengdu) (Chengdu) (HTTP 930 Mbytes)
Institute of High Energy Physics, China Academy of Sciences (Beijing) > Fermilab (Batavia, IL) (Other (TCP) 850 Mbytes)
Florida State University (Tallahassee, FL) > Institute of Atmospheric Physics, China Academy of Sciences (Beijing) (Other (TCP) 850 Mbytes)
Florida State University (Tallahassee, FL) > Institute of Atmospheric Physics, China Academy of Sciences (Beijing) (FTP 850 Mbytes)
National Oceanic and Atmospheric Administration (Silver Spring, MD) > NAO, China Academy of Sciences (Beijing) (HTTP 830 Mbytes)

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Molecular Science Software Suite MS3 (Note ""3"" in ""MS3"" should be superscript)

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