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Versionmodule name
2.14namd/2.14

Required modules

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  1. intel/20.0.3
  2. mvapich2/2.3.4 OR mpich/3.3.2

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2.14namd/2.14-gpu


Code Block
languagebash
Usage: srun $(which namd2) <input file> > <output file>
Alternate Usage: $(which charmrun) +p$SLURM_NTASKS $(which namd2) <input file> > <output file>

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