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Ascend, Cardinal, Pitzer
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.
Cardinal
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.
Availability and Restrictions
Versions
The following versions of XFdtd are available on OSC clusters:
Ascend, Cardinal, Pitzer
This page outlines ways to generate and view performance data for your program using tools available at OSC.
Intel Tools
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
Intel VTune is a tool to generate profile data for your application. Generating profile data with Intel VTune typically involves three steps:
Pitzer
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.
Hardware
Detailed system specifications:
Pitzer
For more information about citations of OSC, visit https://www.osc.edu/citation.
To cite Pitzer, please use the following information:
Ohio Supercomputer Center. (2018). Pitzer Cluster. Ohio Supercomputer Center. https://doi.org/10.82404/GYT1-JH87
BibTeX:
Pitzer
These are the public key fingerprints for Pitzer:
pitzer: ssh_host_rsa_key.pub = 8c:8a:1f:67:a0:e8:77:d5:4e:3b:79:5e:e8:43:49:0e
pitzer: ssh_host_ed25519_key.pub = 6d:19:73:8e:b4:61:09:a9:e6:0f:e5:0d:e5:cb:59:0b
pitzer: ssh_host_ecdsa_key.pub = 6f:c7:d0:f9:08:78:97:b8:23:2e:0d:e2:63:e7:ac:93
Ascend, Cardinal, Pitzer
Desmond is a software package that perform high-speed molecular dynamics simulations of biological systems on conventional commodity clusters, general-purpose supercomputers, and GPUs. The code uses novel parallel algorithms and numerical techniques to achieve high performance and accuracy on platforms containing a large number of processors, but may also be executed on a single computer. Desmond includes code optimized for machines with an NVIDIA GPU.
Ascend, Cardinal, Pitzer
Self-Signup for Accounts
1. Navigate to MyOSC, our client portal.
2. Click the "Sign Up" button and submit the form.
Ascend, Cardinal, Pitzer
Client portal password and username options
Please visit MyOSC, our client portal website.
Change password while already logged in
Click "Change Password" from the dropdown menu in the upper-right corner where the full name of the user is shown.
A successful password change redirects back to the dashboard page. There is also a message displayed confirming the change and providing other information.
Pitzer
Pitzer includes two types of processors, Intel® Xeon® 'Skylake' processor and Intel® Xeon® 'Cascade Lake' processor. This document provides you information on how to request resources based on the requirements of # of cores, memory, etc despite the heterogeneous nature of the Pitzer cluster. Therefore, in some cases, your job can land on either type of processor.
