NAMD 3.0alpha13-CUDA-11.3.1NAMD, recipient of a 2002 Gordon Bell Award, a 2012 Sidney Fernbach Award, and a 2020 Gordon Bell Prize, 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 cores for typical simulations and beyond 500,000 cores for the largest simulations.
Accessing NAMD 3.0alpha13-CUDA-11.3.1
To load the module for NAMD 3.0alpha13-CUDA-11.3.1 please use this command on Baskerville:
module load bask-apps/live
module load NAMD/3.0alpha13-CUDA-11.3.1
Bask Apps Env
Please note this application will not support multi-node jobs. Your submission script should only have
#SBATCH --nodes=1-1. If you have any questions about this please contact Baskerville support.
For more information visit the NAMD website.
This version of NAMD has a direct dependency on: CUDA/11.3.1
Last modified on 24th November 2022