Answers for "vmd hpc sbatch"

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vmd hpc sbatch

#!/bin/bash
#SBATCH --job-name=vmd
#SBATCH -N 1
#SBATCH -n 64
##SBATCH --gres=gpu:1
#SBATCH -p longq7-rna
##SBATCH --nodelist=nodeamd002
##SBATCH -p shortq7
#SBATCH --exclude=nodegpu[021-025]
#SBATCH --mail-type=ALL
#SBATCH --time=12:00:00
#echo   "CUDA_VISIBLE_DEVICES = "$CUDA_VISIBLE_DEVICES


module load vmd  #### load vmd module

vmd -dispdev text *.pdb -eofexit < /mnt/rna/home/userABC/your_vmd_tcl_script.tcl
Posted by: Guest on April-30-2021

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