HOW TO USE THE BATCH SYSTEM

The queuing system was reconfigured as following:

queue memory CPU time nice jobs/user/system
----------------------------------------------------

   large            250 MB     unlimited        15                 2
   mlarge         900 MB     unlimited        15                 1
interactive   unlimited     unlimited          0         unlimited
----------------------------------------------------

to submit a job:

> qsub -q queue "batch file"

where queue: the queue name, eg. large ...

An Example of a batch file:

file_submit:

export MOLPRODIR /home/QuantumChemistry/molpro98.1/bin
cd $HOME/PROJECTS/quantum_chem/molpro98.1
$MOLPRODIR/molpro molpro_test.com

to check the jobs:

> qstat -da

to delete a job:

> qdel -k ID.fire@machine>

    where:
          ID          : the ID showning in qstat
         machine : the machine where the job is running
    eg. : qdel -k 19.fire@water