Resources.j.bozzelli.2017

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IST (Information Services and Technology) Resources Used in This Research

Hardware Employed Existing Software Employed New Software Requested/Employed HPC Wiki Documentation Used Consultation w/ARCS Other
Kong; bozzelli short, medium, and long queues Gaussian 09, NWChem Future : new versions of Gaussian; a second calculation program named Orca; a third program for calculation of kinetics named Variflex Extensively, especially "Running Jobs" and "Software" Extensive, especially on submit scripts, and other scripts for post-processing and installation of programs