From Proposal to Production: Lessons Learned Developing the Computational Chemistry Grid Cyberinfrastructure

The Computational Chemistry Grid (CCG) is a three-year, National Middleware Initiative program to develop cyberinfrastructure for the chemistry community. CCG is led by the University of Kentucky and involves collaborating sites at Louisiana State University, Ohio Supercomputing Center, Texas Advanced Computing Center, and the National Center for Supercomputing Applications. This paper discusses experiences developing the CCG cyberinfrastructure in the first year of the project. Special attention is paid to technological issues faced as well as issues raised running the CCG in production. The final section of the paper looks forward to challenges foreseen in the remaining two years.September 1, 2005.