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Statewide Users Group Minutes, November 8, 2013

Statewide Users Group Minutes, November 8, 2013

 

Attending: Mike Drapcho, Jim Giuliani, Christopher Hadad, John Heimaster, Dan Lacks, Robert Marcus, Rich Markham, Russ Pitzer, Rick Prairie, Keith Stewart

 

Agenda:

Statewide Users Group Agenda
November 8, 2013  

10:00 a.m.: Coffee and Tea (BALE Conference)

10:15 a.m.: Committee Meetings

Statewide Users Group Agenda, November 8, 2013

Statewide Users Group Agenda
November 8, 2013

10:00 a.m.: Coffee and Tea (BALE Conference)

10:15 a.m.: Committee Meetings

    Hardware and Operations (BALE Conference)
   *****Allocations--will take place on Thursday, December 12*****
    Software and Activities (Stutz/Buckeye Conference)

11:45 a.m.: Lunch (BALE Conference)

12:30 p.m.: Welcome--John Herbert, Vice-chair

Queues and Reservations

Here are the queues available on Oakley. Please note that you will be routed to the appropriate queue based on your walltime and job size request.

Name Nodes available max walltime max job size notes

Serial

Available minus reservations

168 hours

1 node

HOWTO: Configure the MATLAB Parallel Computing Toolbox

Introduction

The MATLAB Parallel Computing Toolbox and Distributed Computing Server are designed to allow users to create and launch parallel MATLAB jobs on a cluster of compute nodes.  It also allows users to remotely connect to OSC resources, whether to run parallel jobs in MATLAB or to use toolboxes for which users own their own licenses.  This guide will explain the basics of how to configure your Parallel Computing Toolbox for OSC systems.

Versions

The following versions of the MATLAB Parallel Computing Toolbox are supported at OSC:

Cambridge Structural Database

Introduction

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.

Version

Several versions of the software package are available at OSC. Search for csd in this list:

module avail csd

Turbomole

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

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

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

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 Meeting Minutes and Agendas

SUG Meetings are streamed online. To attend meetings remotely, please see the instructions for connecting to streams.

SUG Meeting Agendas

SUG Meeting Minutes

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