Skip to content

Instantly share code, notes, and snippets.

@leelasd

leelasd/NAMD_CPU_Grace.sh

Created June 7, 2018 20:21
Show Gist options
  • Star 0 You must be signed in to star a gist
  • Fork 0 You must be signed in to fork a gist
  • Save leelasd/7152f4741a4353950df751280ca6a02f to your computer and use it in GitHub Desktop.
Save leelasd/7152f4741a4353950df751280ca6a02f to your computer and use it in GitHub Desktop.
Download ZIP
Raw
NAMD_CPU_Grace.sh
#!/bin/bash
#BSUB -o . ## requests outfile be generated
#BSUB -a openmpi
#BSUB -q shared ## specify queue to run on, shared = default
#BSUB -J F_WIND ## job-name
#BSUB -W 24:00 ## walltime <HH:MM>= 24 hrs
#BSUB -n 4
module load Apps/NAMD/2.11-multicore
`which namd2` +p4 forward_MET.WIND.conf > forward_MET.WIND.log
# Submit the job using mpirun
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment