A new intermediate file transfer facility now enables defined outputs to be retrieved during the execution. Please set the core count in Create Experiment to the numer of processors you request in the input if any.

Cite SEAGrid Services:

Citing SEAGrid in academic papers helps us show impact. If you use SEAGrid in your research please help by including the following citation information and acknowledgement in your paper.

SEAGrid (http:www.seagrid.org)[*] is acknowledged for computational resources and services for the selected results used in this publication.

* (a) S. Pamidighantam, S. Nakandala, E. Abeysinghe, C. Wimalasena, S. R. Yodage, Suresh Marru, M. Pierce, Community Science Exemplars in SEAGrid Science Gateway: Apache Airavata Based Implementation of Advanced Infrastructure, Procedia Computer Science,Volume 80, 2016, Pages 1927-1939, https://doi.org/10.1016/j.procs.2016.05.535.

(b) N. Shen, Y. Fan, S. Pamidighantam, E-Science Infrastructures for Molecular Modeling and Parametrization, Journal of Computational Science 5 (2014), pp. 576-589; DOI information: 10.1016/j.jocs.2014.01.005

(c) R. Dooley, K. Milfeld, C. Guiang, S. Pamidighantam, G. Allen, From Proposal to Production: Lessons Learned Developing the Computational Chemistry Grid Cyberinfrastructure, Journal of Grid Computing, 2006, 4, 195-208.

(d) K. Milfeld, C. Guiang, S. Pamidighantam, J. Giuliani. Cluster Computing through an Application-oriented Computational Chemistry Grid. Proceedings of the 2005 Linux Clusters: The HPC Revolution, Apr. 2005.

(e) This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number OCI-1053575.