Hello, A new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee. Applicant's name: Michael Davis Applicant's institution: ANL Applicant's division: cse Project Name: gsavalid Project title: Theoretical validation of chemical kinetic mechanisms using global sensitivity analysis Associated funding: DOE-BES, Integrated Biofuel Strategic LDRD Other Systems: Mac workstations Science: Validation of chemical-kinetic mechanisms using global sensitivity analysis. Project description: Global sensitivity is used to study the importance of competing chemical reactions in a chemical-kinetic mechanism. Such analysis requires the repeated integration of large systems of differential equations over a large number of initial physical parameters, sampled via Monte-Carlo techniques. These calculations are very time-consuming for the mechanisms of biofuels. For example, the ignition of butanol, which is a well-studied biofuel, is described by over 250 differential equations involving 1440 reactions, and requires times on the order of several processor-days to obtain adequate convergence for a single set of initial physical parameters such as pressure and temperature. The Monte-Carlo calculations as well as the sampling of the physical considitions can be distributed over multiple processors in a very efficient manner. We have run the code previously in a very efficient manner on 20 and 40 processors on a linux cluster at the Universit y of Colorado, with linear speed-up. This project is a joint collaborations among CSE, the University of Colorado, Boulder, and Leeds University and includes approximately 5 total collaborators. At the present time we are using are own software. Project URL: Requested allocation: 200000 Justification: The requester has used 0 hours of their initial startup project. In addition to approving an initial amount, please specify a Category and Subcategory for this project. For a list of the current selection of approved categories, please see: https://wiki.lcrc.anl.gov/wiki/Processes/Categories Once the Allocation committee has approved the project, please go to the Project Management page to create it: https://accounts.lcrc.anl.gov/projects.php Thank You, The LCRC Accounts System