NAMD 3.0alpha13-CUDA-11.3.1

NAMD, 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

live

Job Submission

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.

More Information

For more information visit the NAMD website.

Dependencies

This version of NAMD has a direct dependency on: CUDA/11.3.1

Last modified on 24th November 2022