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
Please see the slide show presentation.
Notes from the Hardware Committee report, John Heimaster
Statewide Users Group Agenda
August 8, 2013 *TENTATIVE**
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
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). PIs are also responsible for monitoring their project's Resource Unit balance and for submitting a proposal to the Allocations Committee of the Statewide Users Group before the balance goes negative.
CFX is a computational fluid dynamics (CFD) program for modeling fluid flow and heat transfer in a variety of applications.
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.
A common problem on our systems is for a user job to run a node out of memory or to use more than its allocated share of memory if the node is shared with other jobs.
If a job exhausts both the physical memory and the swap space on a node, it causes the node to crash. With a parallel job, there may be many nodes that crash. When a node crashes, the systems staff has to manually reboot and clean up the node. If other jobs were running on the same node, the users have to be notified that their jobs failed.