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, April 20 2012

April 27, 2012 6:13 pm EDT

1. Announcements
2. Tip of the Week


joint Physical and Theoretical Chemistry Seminar

May 1, 2012 4:00 pm - 5:00 pm
MoSE 3201A
Prof. Lyudmila V. Slipchenko, Purdue University
Condensed-phase chemistry with Effective Fragment Potential method: Challenges and successes


By Massimo

Compilers Available on Ggate

The development environment of Ggate is still under configuration after the machine reinstall, for the moment here is a first list of the compilers available:

  • Gnu compilers version 4.1 : gcc, g++, gfortran.
  •  Gnu compilers version 4.4: gcc44, g++44, gfortran44
  •  Gnu compilers version 3.4: gcc34, g++34, g77
  • Intel compilers and MKL libraries version 11: ifort, icc, icpc

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.