Center for Computational Molecular Science and Technology Georgia Institute of Technology Center for Computational Molecular Science and Technology School of Chemistry and Biochemistry

CCMST Weekly News, March 23 2012

March 23, 2012 5:21 pm EDT

1. Announcements
2. Tip of the Week

ANNOUNCEMENTS

COPE Seminar Series

March 29, 2012 4:00 pm - 5:00 pm
MoSE G011
Prof. Takao Someya, University of Tokyo
Stretchable and Ultraflexible Electronics using Printed Organic Transistors

Physical Chemistry Seminar Series

March 30, 2012 4:00 pm - 5:00 pm
MoSE 1201A
Prof. Luis Liz-Marzan, Universidade de Vigo
Directing the Growth and Structure of Metal Nanocrystals

Atlanta Area Chemical Physics Seminar Series

April 2, 2012 8:00 pm - 9:00 pm
Emory University, 316 Atwood Hall
Prof. Laurie Butler, University of Chicago
From Quantum Mechanics to Atmospheric Chemistry: Probing Radical Intermediates of Bimolecular Reactions

TIP OF THE WEEK

By Massimo

Plotting Software on Egate and Fgate

The two graphing packages gnuplot and grace are available on egate and fgate. These can be used to quickly generate plots, for instance to check intermediate results of a job, without having to download data from the cluster.

Gnuplot is a command-line graphing utility that can be used to create a variety of different plots in several output formats: from interactive screen display to graphic files such as postscripit and PDF.

Grace is WYSIWYG interactive plotting tool. Note that grace is a X11 application, thus to use it from the CCMST clusters one has to forward the X11 output (option -X of ssh) and one must have a X11 server running on the local computer.

Do you have usage tips that you want to share with the other CCMST users? Please send them to Massimo (massimo.malagoli@chemistry.gatech.edu) for inclusion in the Tip of the Week section.