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Pitzer
TURBOMOLE is an ab initio computational chemistry program that implements various quantum chemistry algorithms. It is focused on efficiency, notably using the resolution of the identity (RI) approximation.
SUG Minutes, August 8, 2013
Attending:
Aravind Asthagiri, Charlotte Elster, Chris Hadad, Lisa Hall, John Heimaster, Robert L Marcus, Russ Pitzer, Rick Prairie, Yuan Zhang, Kevin Wohlever
Agenda
Statewide Users Group Minutes, April 11, 2013
Celebrating The Ohio Supercomputer Center's 25th Anniversary, at the University Plaza Hotel
Attending: Aravind Asthagiri, Judy Gardiner, Jim Giuliani, Brian Guilfoos, John Heimaster, Anthony Johnson, Doug Johnson, Robert Marcus, Diane Milholland, Rick Prairie, Jarri Prince, Tim Prince, Sid Samsi, Sarah Sed, Keith Stewart, Kevin Wohlever, Christa Yandrich, Yuan Zhang
Statewide Users Group Meeting Agenda
August 8, 2013
10:00 a.m.: Coffee and Tea (BALE Conference)
10:15 a.m.: Committee Meetings
Hardware and Operations (BALE Conference)
Allocations (BALE Theater)
Software and Activities (Stutz/Buckeye Conference)
11:45 a.m.: Lunch (BALE Conference)
12:30 p.m.: Welcome--Aravind Asthagiri, Chair
Wednesday, April 4th
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4:00 - 6:00 pm |
Cardinal
ANSYS CFX (called CFX hereafter) is a computational fluid dynamics (CFD) program for modeling fluid flow and heat transfer in a variety of applications.
Availability and Restrictions
CFX is available on the Cardinal Cluster. You can see the currently available versions in the table on the main Ansys page here.
Occasionally, jobs that experience problems may generate emails from staff or automated systems at the center with some information about the nature of the problem. This page provides additional information about the various emails sent, and steps that can be taken to address the problem.
Owens, Pitzer
Problem description
A common problem on our systems is that a user's job causes a node out of memory or uses more than its allocated memory if the node is shared with other jobs.
Cardinal, Pitzer
Quantum ESPRESSO (QE) is a program package for ab-initio molecular dynamics (MD) simulations and electronic structure calculations. It is based on density-functional theory, plane waves, and pseudopotentials.
