The Job Viewer Tab displays information about individual HPC jobs and includes a search interface that allows jobs to be selected based on a wide range of filters:
1. Click on the Job Viewer tab near the top of the page.
2. Click Search in the top left-hand corner of the page
XDMoD, which stands for XD Metrics on Demand, is an NSF-funded open source tool that provides a wide range of metrics pertaining to resource utilization and performance of high-performance computing (HPC) resources, and the impact these resources have in terms of scholarship and research.
Visit OSC's XDMoD (xdmod.osc.edu) and click 'Sign In' in the upper left corner of the page.
The default gaussian module on Pitzer has been changed from g16b01 to g16a03 because of the known issue:
https://www.osc.edu/resources/technical_support/known_issues/gaussian_g16b01_g4_problem
Gaussian g16a03 version has been installed on Pitzer.
CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. CP2K provides a general framework for different modeling methods such as DFT using the mixed Gaussian and plane waves approaches GPW and GAPW. Supported theory levels include DFTB, LDA, GGA, MP2, RPA, semi-empirical methods and classical force fields.
