CHPC - Research Computing Support for the University

In addition to deploying and operating high performance computational resources and providing advanced user support and training, CHPC serves as an expert team to broadly support the increasingly diverse research computing needs on campus. These needs include support for big data, big data movement, data analytics, security, virtual machines, Windows science application servers, protected environments for data mining and analysis of protected health information, and advanced networking. Visit our Getting Started page for more information.

Introduction to Linux, part 2 

Tuesday, September 8th, 2015
INSCC Auditorium
1:00-3:00 p.m.

Attention: Protected Environment Users

apexarch update to OS RHEL6 is complete

 Nvidia Training

Hosted by NVIDIA
LOCATION: SCI Institute, 72 S. Centeral Campus Drive
DATE: Sept. 29-30, 2015.
TIME: 9 am - 4:30 pm both days
LIMIT: 45 Seats
To register:

ATTENTION: Protected Environment Users

  1. Duo multi-factor authentication will be required after the September 1st downtime (below). 
  2. Downtime of apexarch to upgrade the OS to RHEL6. Begins 8 a.m. September 1st for approximately 2 days.

More details

CHPC Fall 2015 Training Series begins on September 1st

 News History...


Prediction of Crystal Structures from First Principle Calculations

Using CHPC resources a team of researchers from the University of Utah and the University of Buenos Aires has demonstrated that it is possible to predict the crystal structures of a biomedical molecule using solely first principles calculations.  The results on glycine polymorphs shown in the figure were obtained using the Genetic Algorithms search implemented in Modified Genetic Algorithm for Crystals coupled with the local optimization and energy evaluation provided by Quantum Espresso. All three of the ambient pressure stable glycine polymorphs were found in the same energetic ordering as observed experimentally.  The agreement between the experimental and predicted structures is of such accuracy that they are visually almost indistinguishable.

The ability to accomplish this goal has far reaching implications well beyond just intellectual curiosity.  Crystal structure prediction can be used to obtain an understanding of the principles that control crystal growth.  More practically, the ability to successfully predict crystal structures and energetics based on computation alone will have a significant impact in many industries for which crystal structure and stability plays a critical role in product formulation and manufacturing, including pharmaceuticals, agrochemicals, pigments, dyes and explosives.

Lund AM, Pagola GI, Orendt AM, Ferraro, MB, Facelli, JC (2015). Crystal structure prediction from first principles: The crystal structure of glycine. Chemical Physics Letters, 626, 20-24. 

System Status

last update: 09/05/15 6:11 am
General Nodes
system procs % util.
ember 588/1008 58.33%
kingspeak 832/832 100%
lonepeak 256/256 100%
Restricted Nodes
system procs % util.
ash 4340/6212 69.86%
apexarch Status Unavailable
ember 516/708 72.88%
kingspeak 1276/3580 35.64%
lonepeak 176/952 18.49%

Cluster Utilization