NAMD

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Systems

Leonardo
Galileo100
Marconi
Ada Cloud

NAMD, recipient of a 2002 Gordon Bell Award, is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, NAMD scales to hundreds of processors on high-end parallel platforms and tens of processors on commodity clusters using gigabit ethernet. NAMD uses the popular molecular graphics program VMD for simulation setup and trajectory analysis, but is also file-compatible with AMBER, CHARMM, and X-PLOR. NAMD is distributed free of charge with source code.

Version: 2.14 (G100) 3.0 (LEONARDO) 2.12 (MARCONI)

Availability: GALILEO100, LEONARDO, MARCONI

Target: academic

Official web site: http://www.ks.uiuc.edu/Research/namd/

Related Commands:

You can load the module with the command:

module load namd/version

NAMD has been compiled for parallel executions only, nevertheless, it can be run using a single processor

Help and Documentation:

You can find documentation on the system, with the command

module help namd/version

The manual is on the web  at the original home page

http://www.ks.uiuc.edu/Research/namd/

CINECA consultants can be reached through the addr: [email protected]

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