APPLICATIONS: Computer & Information Sciences Advanced Networking Infrastructure & Research

TACC Quantum Chemistry Grid / Gaussian Portal

Gaussian code, used in computational chemistry, sometimes receives inadequate computational resources when run on large computers. The Tsukuba Advanced Computing Center (TACC) Gaussian Grid Portal efficiently utilizes costly computational resources without knowing the specifications of each system environment. It consists of a Web interface, meta-scheduler, computational resources, archival resources, and Grid software. Grids allow one to compute from anywhere. Ultimate access to 10Gbps networking shall eliminate much of the latency incurred using the portal to obtain adequate resources. Acknowledgment: This research was carried out at the Information Technology Research & Development Office, Tsukuba Advanced Computing Center (TACC), AIST. Special thanks to Dr. Terakura, a TACC director, for his help, for funding, and for access to computer resources. The scientists who worked on this project, Nishikawa, Nagashima and Sekiguchi, are currently at GTRC but were previously at TACC. Contact Takeshi Nishikawa Grid Technology Research Center (GTRC), National Institute of Advanced Industrial Science and Technology (AIST), Japan t.nishikawa@aist.go.jp Collaborators Umpei Nagashima, Takeshi Nishikawa, Satoshi Sekiguchi, GTRC, AIST, Japan unit.aist.go.jp/grid/GSA/gaussian