This presentation will first focus on the computational chemistry related applications that are available on CHPC computer systems. An overview of the packages and their capabilities, focusing on details of how users can access the installations at CHPC, will be given. The second half of the presentation will focus on the use of Gaussian09 and Gaussview. Batch scripts and input file formats will be discussed. Parallel scaling and timings with the different scratch options will also be presented, along with a discussion of scratch needs of Gaussian09.
Chemistry Packages at CHPC
LOCATION: INSCC Auditorium (room 110)
DATE: Tuesday, October 18th, 2016
TIME: 1:00 - 2:00 p.m.
Presented by Anita Orendt
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