◆Overview of MolWorks+G
MolWorks+G has same function of MolWorks2.1. MolWorks+G is an integrated
software tool for molecular design based on Grid Computing. Grid technology
equipped on MolWorks+G realizes the execution of scaleable molecular simulation.
You can draw a new molecule on your PC at bench side and execute large scale
molecular simulation on a Super Computing facility via Intra or Internet.
◆What is Grid technology?
Gird technology is expected to provide solutions for wide requirements from
Computer Aided Molecular or Materials design. CAMD requires a Large variety
of computer resources, which are available by a grid function of flexible
computer facility allocation. Seamless access to computational resources
is also realized by Globus Toolkit of globally distributed. To use these
advantages, MolWokrs+G provides simple GUI environments.
◆Features of MolWorks+G
MolWorks+G provides users with many functions required to execute computational
chemical simulations on the Grid environments.
・Creating Input Data for the simulation
・Creating a Proxy for certification
・Job Controls
・Job submission to a user specified host
・Check the job status
・File transfer through Grid FTP
◆Grid technologies of MolWorks+G
We use the Java Cog Kits and Globus Tool Kit technologies for implementing
gird functions. MolWokrs+G execute grid jobs through these libraries. MolWorks+G
bridges the gulf between the grid environment and applications. User can
use the applications easily on the grid environment by using only the GUI
of MolWorks+G and does not need to mind how to use the functions or commands
of Globus Tool Kit.
Conceptual diagram of MolWorks+G
Conceptual diagram how to use MolWorks+G
Overview of MolWorks+G
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