Batch Jobs [IT-Bereich des Instituts für Chemie]

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====== Batch Jobs ======

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<span style="color:black;font-size:110%;font-weight:bold"> Equeueing of scripts launched via: <span style="color:red;font-family:monospace;font-size:140%;white-space:pre">  sbatch job_script</span> </span>
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<span style="color:black;font-size:110%;font-weight:bold">Please DO NOT employ the parameter <span style="font-size:140%;color:red;font-family:monospace"> --ntasks-per-core= </span> unless you really know what you do. Erroneous usage of this flag </br>(especially in combination with the parameter <span style="font-size:140%;color:red;font-family:monospace">--cpus-per-task</span>) can lead to catastrophic errors in your jobs!</span>
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<code bash slurm_jobscript_header.sh>
#!/bin/bash --login

###################################################################################################
# WARNING: Please adapt all relevant parameters so that they fit the requirements of your job(s). #
# Questions and Remarks welcome to Sebastian Kraus                                                #
###################################################################################################

# %x: job name; %j: job id; %N: node; %t: task id; %a: array id (and others)
# #SBATCH -o %x.%j.%N.out  # for debugging purposes: redirect SLURM's stdout (please see man 1 sbatch for explanation of replacement symbols)
# #SBATCH -e %x.%j.%N.err  # for debugging purposes: redirect SLURM's stderr (please see man 1 sbatch for explanation of replacement symbols)

# #SBATCH -D $PWD               # if needed change to current working directory

#SBATCH -J jobname              # job name
#SBATCH -n 1                    # total number of tasks/cores for your job
#SBATCH --hint=nomultithread     # IMPORTANT: hyper-threading is activated; switch off and attribute whole core to task
# #SBATCH --ntasks-per-node=1   # number of tasks per node
#SBATCH -N 1                    # number of nodes
# #SBATCH -p smp                # partition the job gets scheduled: standard (default), smp, gpu (uncomment, if you want your job to run on hosts in SMP partition)
#SBATCH --time=00:15:00         # job run (wall clock) time in HH:MM:SS
#SBATCH --mem=4GB               # amount of resident main memory PER NODE(!)
# #SBATCH --mem-per-cpu=1GB     # amount of resident main memory PER CORE(!) (set only, if needed)

# #SBATCH --gres=gpu:tesla:1    # GPU resources (only with gpu partition!)

# #SBATCH --mail-type=END       # if your want to receive notifications about job status (cf. man 1 sbatch)
# #SBATCH --mail-user=username


# and now your job definition ;-)

module add [your_modules]

[your_commands]

</code>

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<span style="color:black;font-size:120%;"> SLURM defines lots of environment variables starting with <span style="color:blue;font-size:90%;">SLURM_</span> - e.g. <span style="color:blue;font-size:90%;"> SLURM_JOB_NUM_NODES, SLURM_JOB_ID, SLURM_NTASKS_PER_NODE </span> - you are able to access during the job run (see also <span style="font-family:monospace;font-size:110%;"> man 1 sbatch</span>).</span>
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<span style="color:black;font-size:120%;"> Beware of the fact that <span style="color:blue;font-size:90%;"> SLURM_NTASKS_PER_NODE </span> is allowed to constitute an array of regular expressions and can only easily be parsed in case of a <span style="color:blue;font-size:100%;">fixed number of tasks per node!</span> </span>
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date of revision: 07-24-2019 © kraus
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