General Usage

• Login

  ssh [netid]@quest.it.northwestern.edu    
  

  where [netid] is your NETID. The first time you login, it will ask you to enter file in which to save the key and then to enter passphrase twice. Just press "enter" for these three questions and you should be able to login successfully.

  Our group folder is located in /projects/b1011/luijten-group

• Example of job.mbs file

  # ### AUTOMATICALLY GENERATED BATCH FILE
  #MOAB -q collab
  #MOAB -l advres=grail
  #MOAB -A b1011
  #MOAB -l walltime=[dd:hh:mm:ss]
  
  # ###name of job
  #MOAB -N [name_of_job]
  
  # ### mail for begin/end/abort
  #MOAB -m ea
  #MOAB -M [email_address]                                                                                                      
  
  # ### number of nodes and processors per node
  #MOAB -l nodes=2:ppn=6
  
  # ### indicates that job should not rerun if it fails
  #MOAB -r n
  
  # ### stdout and stderr merged as stderr
  #MOAB -j eo
  
  # ### write stderr to file
  #MOAB -e log.err
  
  # ### the shell that interprets the job script
  #MOAB -S /bin/bash
  
  cd /projects/b1011/luijten-group/[job_location]
  time mpirun -np 12  ~/lammps-30Aug12_standard/src/lmp2013_mpi -in input.dat
  
  if [ $? -eq 0 ] ; then
  touch COMPLETED
  fi