Computational Chemistry Grid
Encyclopedia
The Computational Chemistry Grid project (CCG) is a National Science Foundation
project in computational chemistry
.
The CCG is a virtual organization that allocates time on high-performance computing
(HPC) resources for running computational chemistry applications through distributed support and services using an intuitive client called GridChem.
GridChem is a Java Desktop software application that presents a common interface to the user, integrating authentication, molecular editing, input and job preparation, job submission, and output monitoring. The GridChem Middleware Services manages and monitors execution of applications on the HPC resources through web services, and hosts consulting and allocations services.
The computational power includes several Intel processor clusters, IBM
Power4
and SGI Origin 2000
.
Computing-sensitive areas include:
National Science Foundation
The National Science Foundation is a United States government agency that supports fundamental research and education in all the non-medical fields of science and engineering. Its medical counterpart is the National Institutes of Health...
project in computational chemistry
Computational chemistry
Computational chemistry is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids...
.
The CCG is a virtual organization that allocates time on high-performance computing
High-performance computing
High-performance computing uses supercomputers and computer clusters to solve advanced computation problems. Today, computer systems approaching the teraflops-region are counted as HPC-computers.-Overview:...
(HPC) resources for running computational chemistry applications through distributed support and services using an intuitive client called GridChem.
GridChem is a Java Desktop software application that presents a common interface to the user, integrating authentication, molecular editing, input and job preparation, job submission, and output monitoring. The GridChem Middleware Services manages and monitors execution of applications on the HPC resources through web services, and hosts consulting and allocations services.
The computational power includes several Intel processor clusters, IBM
IBM
International Business Machines Corporation or IBM is an American multinational technology and consulting corporation headquartered in Armonk, New York, United States. IBM manufactures and sells computer hardware and software, and it offers infrastructure, hosting and consulting services in areas...
Power4
POWER4
The POWER4 is a microprocessor developed by International Business Machines that implemented the 64-bit PowerPC and PowerPC AS instruction set architectures. Released in 2001, the POWER4 succeeded the POWER3 and RS64 microprocessors, and was used in RS/6000 and AS/400 computers, ending a separate...
and SGI Origin 2000
SGI Origin 2000
The SGI Origin 2000, code named Lego, is a family of mid-range and high-end servers developed and manufactured by SGI and introduced in 1996 to succeed the SGI Challenge and POWER Challenge. At the time of introduction, these systems ran IRIX 6.4 and later, IRIX 6.5. A variant of the Origin 2000...
.
Computing-sensitive areas include:
- quantum chemistryQuantum chemistryQuantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models and experiments of chemical systems...
Participants
- National Science FoundationNational Science FoundationThe National Science Foundation is a United States government agency that supports fundamental research and education in all the non-medical fields of science and engineering. Its medical counterpart is the National Institutes of Health...
- National Center for Supercomputing ApplicationsNational Center for Supercomputing ApplicationsThe National Center for Supercomputing Applications is an American state-federal partnership to develop and deploy national-scale cyberinfrastructure that advances science and engineering. NCSA operates as a unit of the University of Illinois at Urbana-Champaign but it provides high-performance...
- Center for Computation and Technology at Louisiana State UniversityLouisiana State UniversityLouisiana State University and Agricultural and Mechanical College, most often referred to as Louisiana State University, or LSU, is a public coeducational university located in Baton Rouge, Louisiana. The University was founded in 1853 in what is now known as Pineville, Louisiana, under the name...
- Texas Advanced Computing CenterTexas Advanced Computing CenterThe Texas Advanced Computing Center at the University of Texas at Austin, United States, is a research center for advanced computational science, engineering and technology. TACC is located on UT's J.J. Pickle Research Campus....
- Ohio Supercomputer CenterOhio Supercomputer CenterEstablished in 1987, the Ohio Supercomputer Center is a partner of Ohio universities and industries that provides a high performance computing, research, cyberinfrastructure, and computational science education services....
- Center for Computational Sciences, University of KentuckyUniversity of KentuckyThe University of Kentucky, also known as UK, is a public co-educational university and is one of the state's two land-grant universities, located in Lexington, Kentucky...