HPC/Applications/vasp

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Node resources for VASP

Consider the follwing to specify PBS node resources (in job files and on the qsub command line).

Single-node jobs

  • When on gen1 nodes use ppn=4 and disallow sharing
#PBS -l nodes=1:ppn=4:gen1 naccesspolicy=SINGLEJOB
  • When on gen2, use ppn=7 or 8
#PBS -l nodes=1:ppn=8:gen2

Multi-node jobs

Run on gen2 only, by using the following options for qsub or #PBS: 

#PBS -l nodes=__:ppn=__:gen2
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