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 30 2012

March 30, 2012 12:09 pm EDT

1. Announcements
2. Tip of the Week


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

Physical Chemistry Seminar Series

April 4, 2012 4:00 pm - 5:00 pm
MoSE 3201A
Prof. David Farrelly, Utah State University
Solving by Evolving: Genetic Algorithm Diffusion Monte Carlo Studies of Quantum Solvation and Ro-vibrational dynamics in Helium-4 droplets

School Colloquim

April 5, 2012 4:00 pm - 5:00 pm
MoSE G011
Prof. Martha Grover, Georgia Tech
Quantifying the kinetics of macromolecular self-assembly via stochastic simulations


By Massimo

Python 2.7 and 3.2 on egate and fgate

The default version of Python installed on egate and fgate is Python 2.4, but newer versions, Python 2.7.2 and Python 3.2.1 are also available on these clusters. The newer version of Python are installed in /opt/python, and Numpy is compiled and installed together with Python 2.7

Python 2.7 and 3.2 are installed on each compute node, thus they can be used by batch jobs.

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