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.
ORCA is an ab initio quantum chemistry program package that contains modern electronic structure methods including density functional theory, many-body perturbation, coupled cluster, multireference methods, and semi-empirical quantum chemistry methods. Its main field of application is larger molecules, transition metal complexes, and their spectroscopic properties. ORCA is developed in the research group of Frank Neese. Visit ORCA Forum for additional information.
XFdtd is an electromagnetic simulation solver. Its features analyze problems in antenna design and placement, biomedical and SAR, EMI/EMC, microwave devices, radar and scattering, automotive radar, and more.
The following versions of XFdtd are available on OSC clusters:
This page outlines ways to generate and view performance data for your program using tools available at OSC.
This section describes how to use performance tools from Intel. Make sure that you have an Intel module loaded to use these tools.
Intel VTune is a tool to generate profile data for your application. Generating profile data with Intel VTune typically involves three steps:
Condo model refers to that the participants (condo owners) lease one or more compute nodes for the shared cluster while OSC provides all infrastructure, as well as maintenance and services. CCAPP Condo on Pitzer cluster is owned by the Center for Cosmology and AstroParticle Physics, at OSU. Prof. Annika Peter has been heavily involved in specifying requirements.
Detailed system specifications:
13 total nodes
40 cores per node
