Search Documentation

Search Documentation

Pitzer

This page includes a summary of differences to keep in mind when migrating jobs from other clusters to Pitzer. 

Owens

Transmission3d is a 3-dimensional, multi-body gear contact analysis software capable of modeling complex gear systems developed by Ansol (Advanced Numeric Solutions). Multiple gear types, including: Helical, Straight Bevel, Spiral Bevel, Hypoids, Beveloids and Worms can be modeled. Multiple bearing types, as well as complex shafts, carriers and housings can also be modeled with the software. A variety of output data options including tooth bending stress, contact patterns, and displacement are also available.

NBO

Owens

The Natural Bond Orbital (NBO) program is a discovery tool for chemical insights from complex wavefunctions. NBO is a broad suite of 'natural' algorithms for optimally expressing numerical solutions of Schrödinger's wave equation in the chemically intuitive language of Lewis-like bonding patterns and associated resonance-type 'donor-acceptor' interactions.

Owens

Rosetta is a software suite that includes algorithms for computational modeling and analysis of protein structures. It has enabled notable scientific advances in computational biology, including de novo protein design, enzyme design, ligand docking, and structure prediction of biological macromolecules and macromolecular complexes.

 

Owens

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.

Owens, Pitzer

Self-Signup for Accounts

1. Navigate to MyOSC, our client portal.

IMG1.PNG

2. Click the "Sign Up" button and submit the form.

IMG2_0.PNG

Owens, 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.

Replace MV2_ENABLE_AFFINITY=0 with MV2_CPU_BINDING_POLICY=hybrid.

Owens, Pitzer

In the client portal, interactive reporting is provided using Oracle Application Express (APEX) which allows end users to query data and customize reports. This interactive reporting allows users to:

Pages