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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Supplemental Marterials
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.