The Cambridge Structural Database (CSD) contains complete structure information on hundreds of thousands of small molecule crystals. The Cambridge Crystallographic Data Centre (CCDC) is a suite of programs for CSD search and analysis. The Cambridge Crystallographic Data Centre Home Page has additional information.
TURBOMOLE is an ab initio computational chemistry program that implements various quantum chemistry algorithms. It is developed at the group of Prof. Reinhart Ahlrichs at the University of Karlsruhe.
SUG Minutes, August 8, 2013
Aravind Asthagiri, Charlotte Elster, Chris Hadad, Lisa Hall, John Heimaster, Robert L Marcus, Russ Pitzer, Rick Prairie, Yuan Zhang, Kevin Wohlever
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 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
SUG Meetings are streamed online. To attend meetings remotely, please see the instructions for connecting to streams.
GLPK (GNU Linear Programming Kit) is a set of open source LP (linear programming) and MIP (mixed integer problem) routines written in ANSI C, which can be called from within C programs.
Availability & Restrictions
GLPK is available to all OSC users without restriction.
The following versions are available on OSC systems:
Principal Investigators of OSC projects are responsible for updating their authorized user list, their outside funding sources, and their publications and presentations that acknowledge OSC. All of these tasks can be accomplished through the ARMSTRONG portal (https://armstrong.osc.edu).
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 Oakley and Glenn Clusters. The versions currently available at OSC are:
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. These pages provide additional information about the various emails sent, and steps that can be taken to address the problem.