General Usage

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Revision as of 16:55, 9 June 2014 by Wzhwei (talk | contribs)
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  • 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