Anton Training Workshop

Workshop Date: Wednesday, November 9, 2011
Registration Deadline: October 16, 2011
Location: Pittsburgh Supercomputing Center, 300 South Craig Street, Pittsburgh, PA 15213

Registration is now closed

This workshop is invitation-only and specifically targets PIs who have been awarded an allocation of computer time on the Anton supercomputer at the NRBSC/PSC.

The Anton workshop at NRBSC will cover all aspects of running MD simulations on Anton, such as preparing and running simulations and analyzing MD trajectories generated on Anton. In addition to lectures, the workshop will provide a hands-on session in the afternoon during which participants can prepare and conduct test-runs of their originally proposed system for the full 512-node Anton machine. Thus, it will be crucial that all participants bring an equilibrated version of their proposed system with them to the workshop, preferably one that has been equilibrated for several nanoseconds. The equilibrated systems need to be in Maestro format which is the input file format used by Anton (this is also the format used by the Desmond MD package).

All invited PIs are strongly encouraged to attend or send a representative from their group since the workshop will provide necessary training for the production Anton machine. Due to space limitations we can only accommodate one representative from each group.

If you have any questions, please contact Pat Sudac sudac@psc.edu.

Anton Training Workshop Tentative Agenda

8:00 - 8:30 Continental Breakfast
8:30 - 8:45 Welcome and Introduction
8:45 – 9:15 Introduction to Anton
9:15 – 10:30 Preparing and Running Simulations on Anton
10:30 – 10:45 Break
10:45 – 11:30 Analysis of Anton Trajectories
11:45 – 12:45 Lunch break
12:45 - 5:00 Hands-on Session