General Usage of Hydra: Difference between revisions

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(Created page with "<ul> <li>Login <pre> ssh hydra </pre> </li> <li>Example of job.pbs file <pre> ### AUTOMATICALLY GENERATED BATCH FILE # ### name of job #PBS -N [name_] # ### mail for begi...")
 
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# ### name of job
# ### name of job
#PBS -N [name_]
#PBS -N [name_of_job]


# ### mail for begin/end/abort
# ### mail for begin/end/abort
#PBS -m ea
#PBS -m ea
#PBS -M zonghuiroot@gmail.com
#PBS -M [email_address]


# ### maximum cpu time
# ### maximum wall time
####PBS -l cput=5000:00:00
#PBS -l walltime=30:00:00:00
#PBS -l walltime=30:00:00:00


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# # ### queue
# # ### queue
###PBS -q fast
###PBS -q [queue]


# ### indicates that job should not rerun if it fails
# ### indicates that job should not rerun if it fails
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#PBS -S /bin/bash
#PBS -S /bin/bash


cd /home/[job_location]
cd /home/zonghui/Scratch/Multi_chain/Double_length_DNA_experiment/ppa12.peg5_cr_5_double_ka_4/ppa.cat12.pegcat2.peg5
#mpirun -np 2 /opt/lammps/lmp2013_mpi -in input.dat

time /opt/lammps/lmp2013 < input.dat
time /opt/lammps/lmp2013 < input.dat

#/home/wei/Install/lammps/current/src/lmp_suse_linux < input.dat


if [ $? -eq 0 ] ; then
if [ $? -eq 0 ] ; then
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fi
fi
</pre>
</pre>
<tt>[job_location]</tt>
<tt>[name_of_job]</tt>
This is the address of the folder where your input file is located.
This is the name of the job that will be showed in the queue.

<tt>[email_address]</tt>
This is the email address you used to receive the system notice when job begins, aborted or ended.


<tt>[dd:hh:mm:ss]</tt>
<tt>[dd:hh:mm:ss]</tt>
This is the maximum allowed running time for your job. dd: days; hh: hours; mm: minutes; ss: seconds.
This is the maximum allowed running time for your job. dd: days; hh: hours; mm: minutes; ss: seconds.

<tt>[email_address]</tt>
This is the email address you used to receive the system notice when job begins, aborted or ended.


<tt>[job_location]</tt>
<tt>[job_location]</tt>
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<li>Submit jobs
<li>Submit jobs
<pre>
<pre>
msb job.mbs
qsub job.pbs
</pre>
</pre>
<li>Check job status
<li>Check job status
<pre>
<pre>
qstat
showq
</pre>
</pre>
show all jobs
show status of all jobs.
<pre>
<pre>
qstat
qstat -u [username]
</pre>
</pre>
where <tt>[username]</tt> is your own user name. This command will show the status of your own jobs.
show your own jobs
</ul>
</ul>

Revision as of 16:50, 9 June 2014

  • Login
    ssh hydra  
    
  • Example of job.pbs file
     ### AUTOMATICALLY GENERATED BATCH FILE
    
    # ### name of job
    #PBS -N [name_of_job]
    
    # ### mail for begin/end/abort
    #PBS -m ea
    #PBS -M [email_address]
    
    # ### maximum wall time
    #PBS -l walltime=30:00:00:00
    
    # ### number of nodes and processors per node
    #PBS -l nodes=1:ppn=1
    
    # # ### queue
    ###PBS -q [queue]
    
    # ### indicates that job should not rerun if it fails
    #PBS -r n
    
    # ### stdout and stderr merged as stderr
    #PBS -j eo
    
    # ### write stderr to file
    #PBS -e log.err
    
    # ### the shell that interprets the job script
    #PBS -S /bin/bash
    
    cd /home/[job_location]
    time /opt/lammps/lmp2013 < input.dat
    
    if [ $? -eq 0 ] ; then
    touch COMPLETED
    fi
    

    [name_of_job] This is the name of the job that will be showed in the queue.

    [email_address] This is the email address you used to receive the system notice when job begins, aborted or ended.

    [dd:hh:mm:ss] This is the maximum allowed running time for your job. dd: days; hh: hours; mm: minutes; ss: seconds.

    [job_location] This is the address of the folder where your input file is located.

  • Submit jobs
    qsub job.pbs
    
  • Check job status
    qstat
    

    show status of all jobs.

    qstat -u [username]
    

    where [username] is your own user name. This command will show the status of your own jobs.