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Example 1: Hyperthreaded job
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Example 1: MPI with Hyper-Threading
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<h1 id="slurm-examples">Slurm Examples<a class="headerlink" href="#slurm-examples" title="Permanent link"></a></h1>
<h2 id="single-core-based-job-examples">Single core based job examples<a class="headerlink" href="#single-core-based-job-examples" title="Permanent link"></a></h2>
<h3 id="example-1-hyperthreaded-job">Example 1: Hyperthreaded job<a class="headerlink" href="#example-1-hyperthreaded-job" title="Permanent link"></a></h3>
<p>In this example we want to use hyperthreading (<code>--ntasks-per-core=2</code> and <code>--hint=multithread</code>). In our Merlin6 configuration,
the default memory per CPU (a CPU is equivalent to a core thread) is 4000MB, hence each task can use up 8000MB (2 threads x 4000MB).</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-0-1"><a id="__codelineno-0-1" name="__codelineno-0-1" href="#__codelineno-0-1"></a><span class="ch">#!/bin/bash</span>
</span><span id="__span-0-2"><a id="__codelineno-0-2" name="__codelineno-0-2" href="#__codelineno-0-2"></a><span class="c1">#SBATCH --partition=hourly # Using 'hourly' will grant higher priority</span>
</span><span id="__span-0-3"><a id="__codelineno-0-3" name="__codelineno-0-3" href="#__codelineno-0-3"></a><span class="c1">#SBATCH --ntasks-per-core=2 # Request the max ntasks be invoked on each core</span>
</span><span id="__span-0-4"><a id="__codelineno-0-4" name="__codelineno-0-4" href="#__codelineno-0-4"></a><span class="c1">#SBATCH --hint=multithread # Use extra threads with in-core multi-threading</span>
</span><span id="__span-0-5"><a id="__codelineno-0-5" name="__codelineno-0-5" href="#__codelineno-0-5"></a><span class="c1">#SBATCH --time=00:30:00 # Define max time job will run</span>
</span><span id="__span-0-6"><a id="__codelineno-0-6" name="__codelineno-0-6" href="#__codelineno-0-6"></a><span class="c1">#SBATCH --output=myscript.out # Define your output file</span>
</span><span id="__span-0-7"><a id="__codelineno-0-7" name="__codelineno-0-7" href="#__codelineno-0-7"></a><span class="c1">#SBATCH --error=myscript.err # Define your error file</span>
</span><span id="__span-0-8"><a id="__codelineno-0-8" name="__codelineno-0-8" href="#__codelineno-0-8"></a>
</span><span id="__span-0-9"><a id="__codelineno-0-9" name="__codelineno-0-9" href="#__codelineno-0-9"></a>module<span class="w"> </span>purge
</span><span id="__span-0-10"><a id="__codelineno-0-10" name="__codelineno-0-10" href="#__codelineno-0-10"></a>module<span class="w"> </span>load<span class="w"> </span><span class="nv">$MODULE_NAME</span><span class="w"> </span><span class="c1"># where $MODULE_NAME is a software in PModules</span>
</span><span id="__span-0-11"><a id="__codelineno-0-11" name="__codelineno-0-11" href="#__codelineno-0-11"></a>srun<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span><span class="c1"># where $MYEXEC is a path to your binary file</span>
</span></code></pre></div>
<h3 id="example-2-non-hyperthreaded-job">Example 2: Non-hyperthreaded job<a class="headerlink" href="#example-2-non-hyperthreaded-job" title="Permanent link"></a></h3>
<p>In this example we do not want hyper-threading (<code>--ntasks-per-core=1</code> and <code>--hint=nomultithread</code>). In our Merlin6 configuration,
the default memory per cpu (a CPU is equivalent to a core thread) is 4000MB. If we do not specify anything else, our
single core task will use a default of 4000MB. However, one could double it with <code>--mem-per-cpu=8000</code> if you require more memory
(remember, the second thread will not be used so we can safely assign +4000MB to the unique active thread).</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-1-1"><a id="__codelineno-1-1" name="__codelineno-1-1" href="#__codelineno-1-1"></a><span class="ch">#!/bin/bash</span>
</span><span id="__span-1-2"><a id="__codelineno-1-2" name="__codelineno-1-2" href="#__codelineno-1-2"></a><span class="c1">#SBATCH --partition=hourly # Using 'hourly' will grant higher priority</span>
</span><span id="__span-1-3"><a id="__codelineno-1-3" name="__codelineno-1-3" href="#__codelineno-1-3"></a><span class="c1">#SBATCH --ntasks-per-core=1 # Request the max ntasks be invoked on each core</span>
</span><span id="__span-1-4"><a id="__codelineno-1-4" name="__codelineno-1-4" href="#__codelineno-1-4"></a><span class="c1">#SBATCH --hint=nomultithread # Don't use extra threads with in-core multi-threading</span>
</span><span id="__span-1-5"><a id="__codelineno-1-5" name="__codelineno-1-5" href="#__codelineno-1-5"></a><span class="c1">#SBATCH --time=00:30:00 # Define max time job will run</span>
</span><span id="__span-1-6"><a id="__codelineno-1-6" name="__codelineno-1-6" href="#__codelineno-1-6"></a><span class="c1">#SBATCH --output=myscript.out # Define your output file</span>
</span><span id="__span-1-7"><a id="__codelineno-1-7" name="__codelineno-1-7" href="#__codelineno-1-7"></a><span class="c1">#SBATCH --error=myscript.err # Define your error file</span>
</span><span id="__span-1-8"><a id="__codelineno-1-8" name="__codelineno-1-8" href="#__codelineno-1-8"></a>
</span><span id="__span-1-9"><a id="__codelineno-1-9" name="__codelineno-1-9" href="#__codelineno-1-9"></a>module<span class="w"> </span>purge
</span><span id="__span-1-10"><a id="__codelineno-1-10" name="__codelineno-1-10" href="#__codelineno-1-10"></a>module<span class="w"> </span>load<span class="w"> </span><span class="nv">$MODULE_NAME</span><span class="w"> </span><span class="c1"># where $MODULE_NAME is a software in PModules</span>
</span><span id="__span-1-11"><a id="__codelineno-1-11" name="__codelineno-1-11" href="#__codelineno-1-11"></a>srun<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span><span class="c1"># where $MYEXEC is a path to your binary file</span>
</span></code></pre></div>
<h2 id="multi-core-based-job-examples">Multi core based job examples<a class="headerlink" href="#multi-core-based-job-examples" title="Permanent link"></a></h2>
<h3 id="example-1-mpi-with-hyper-threading">Example 1: MPI with Hyper-Threading<a class="headerlink" href="#example-1-mpi-with-hyper-threading" title="Permanent link"></a></h3>
<p>In this example we run a job that will run 88 tasks. Merlin6 Apollo nodes have 44 cores each one with hyper-threading
enabled. This means that we can run 2 threads per core, in total 88 threads. To accomplish that, users should specify
<code>--ntasks-per-core=2</code> and <code>--hint=multithread</code>.</p>
<p>Use <code>--nodes=1</code> if you want to use a node exclusively (88 hyperthreaded tasks would fit in a Merlin6 node).</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-2-1"><a id="__codelineno-2-1" name="__codelineno-2-1" href="#__codelineno-2-1"></a><span class="ch">#!/bin/bash</span>
</span><span id="__span-2-2"><a id="__codelineno-2-2" name="__codelineno-2-2" href="#__codelineno-2-2"></a><span class="c1">#SBATCH --partition=hourly # Using 'hourly' will grant higher priority</span>
</span><span id="__span-2-3"><a id="__codelineno-2-3" name="__codelineno-2-3" href="#__codelineno-2-3"></a><span class="c1">#SBATCH --ntasks=88 # Job will run 88 tasks</span>
</span><span id="__span-2-4"><a id="__codelineno-2-4" name="__codelineno-2-4" href="#__codelineno-2-4"></a><span class="c1">#SBATCH --ntasks-per-core=2 # Request the max ntasks be invoked on each core</span>
</span><span id="__span-2-5"><a id="__codelineno-2-5" name="__codelineno-2-5" href="#__codelineno-2-5"></a><span class="c1">#SBATCH --hint=multithread # Use extra threads with in-core multi-threading</span>
</span><span id="__span-2-6"><a id="__codelineno-2-6" name="__codelineno-2-6" href="#__codelineno-2-6"></a><span class="c1">#SBATCH --time=00:30:00 # Define max time job will run</span>
</span><span id="__span-2-7"><a id="__codelineno-2-7" name="__codelineno-2-7" href="#__codelineno-2-7"></a><span class="c1">#SBATCH --output=myscript.out # Define your output file</span>
</span><span id="__span-2-8"><a id="__codelineno-2-8" name="__codelineno-2-8" href="#__codelineno-2-8"></a><span class="c1">#SBATCH --error=myscript.err # Define your error file</span>
</span><span id="__span-2-9"><a id="__codelineno-2-9" name="__codelineno-2-9" href="#__codelineno-2-9"></a>
</span><span id="__span-2-10"><a id="__codelineno-2-10" name="__codelineno-2-10" href="#__codelineno-2-10"></a>module<span class="w"> </span>purge
</span><span id="__span-2-11"><a id="__codelineno-2-11" name="__codelineno-2-11" href="#__codelineno-2-11"></a>module<span class="w"> </span>load<span class="w"> </span><span class="nv">$MODULE_NAME</span><span class="w"> </span><span class="c1"># where $MODULE_NAME is a software in PModules</span>
</span><span id="__span-2-12"><a id="__codelineno-2-12" name="__codelineno-2-12" href="#__codelineno-2-12"></a>srun<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span><span class="c1"># where $MYEXEC is a path to your binary file</span>
</span></code></pre></div>
<h3 id="example-2-mpi-without-hyper-threading">Example 2: MPI without Hyper-Threading<a class="headerlink" href="#example-2-mpi-without-hyper-threading" title="Permanent link"></a></h3>
<p>In this example, we want to run a job that will run 44 tasks, and due to performance reasons we want to disable hyper-threading.
Merlin6 Apollo nodes have 44 cores, each one with hyper-threading enabled. For ensuring that only 1 thread will be used per task,
users should specify <code>--ntasks-per-core=1</code> and <code>--hint=nomultithread</code>. With this configuration, we tell Slurm to run only 1
tasks per core and no hyperthreading should be used. Hence, each tasks will be assigned to an independent core.</p>
<p>Use <code>--nodes=1</code> if you want to use a node exclusively (44 non-hyperthreaded tasks would fit in a Merlin6 node).</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-3-1"><a id="__codelineno-3-1" name="__codelineno-3-1" href="#__codelineno-3-1"></a><span class="ch">#!/bin/bash</span>
</span><span id="__span-3-2"><a id="__codelineno-3-2" name="__codelineno-3-2" href="#__codelineno-3-2"></a><span class="c1">#SBATCH --partition=hourly # Using 'hourly' will grant higher priority</span>
</span><span id="__span-3-3"><a id="__codelineno-3-3" name="__codelineno-3-3" href="#__codelineno-3-3"></a><span class="c1">#SBATCH --ntasks=44 # Job will run 44 tasks</span>
</span><span id="__span-3-4"><a id="__codelineno-3-4" name="__codelineno-3-4" href="#__codelineno-3-4"></a><span class="c1">#SBATCH --ntasks-per-core=1 # Request the max ntasks be invoked on each core</span>
</span><span id="__span-3-5"><a id="__codelineno-3-5" name="__codelineno-3-5" href="#__codelineno-3-5"></a><span class="c1">#SBATCH --hint=nomultithread # Don't use extra threads with in-core multi-threading</span>
</span><span id="__span-3-6"><a id="__codelineno-3-6" name="__codelineno-3-6" href="#__codelineno-3-6"></a><span class="c1">#SBATCH --time=00:30:00 # Define max time job will run</span>
</span><span id="__span-3-7"><a id="__codelineno-3-7" name="__codelineno-3-7" href="#__codelineno-3-7"></a><span class="c1">#SBATCH --output=myscript.out # Define your output file</span>
</span><span id="__span-3-8"><a id="__codelineno-3-8" name="__codelineno-3-8" href="#__codelineno-3-8"></a><span class="c1">#SBATCH --error=myscript.err # Define your output file</span>
</span><span id="__span-3-9"><a id="__codelineno-3-9" name="__codelineno-3-9" href="#__codelineno-3-9"></a>
</span><span id="__span-3-10"><a id="__codelineno-3-10" name="__codelineno-3-10" href="#__codelineno-3-10"></a>module<span class="w"> </span>purge
</span><span id="__span-3-11"><a id="__codelineno-3-11" name="__codelineno-3-11" href="#__codelineno-3-11"></a>module<span class="w"> </span>load<span class="w"> </span><span class="nv">$MODULE_NAME</span><span class="w"> </span><span class="c1"># where $MODULE_NAME is a software in PModules</span>
</span><span id="__span-3-12"><a id="__codelineno-3-12" name="__codelineno-3-12" href="#__codelineno-3-12"></a>srun<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span><span class="c1"># where $MYEXEC is a path to your binary file</span>
</span></code></pre></div>
<h3 id="example-3-hyperthreaded-hybrid-mpiopenmp-job">Example 3: Hyperthreaded Hybrid MPI/OpenMP job<a class="headerlink" href="#example-3-hyperthreaded-hybrid-mpiopenmp-job" title="Permanent link"></a></h3>
<p>In this example, we want to run a Hybrid Job using MPI and OpenMP using hyperthreading. In this job, we want to run 4 MPI
tasks by using 8 CPUs per task. Each task in our example requires 128GB of memory. Then we specify 16000MB per CPU
(8 x 16000MB = 128000MB). Notice that since hyperthreading is enabled, Slurm will use 4 cores per task (with hyperthreading
2 threads -a.k.a. Slurm CPUs- fit into a core).</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-4-1"><a id="__codelineno-4-1" name="__codelineno-4-1" href="#__codelineno-4-1"></a><span class="ch">#!/bin/bash -l</span>
</span><span id="__span-4-2"><a id="__codelineno-4-2" name="__codelineno-4-2" href="#__codelineno-4-2"></a><span class="c1">#SBATCH --clusters=merlin6</span>
</span><span id="__span-4-3"><a id="__codelineno-4-3" name="__codelineno-4-3" href="#__codelineno-4-3"></a><span class="c1">#SBATCH --job-name=test</span>
</span><span id="__span-4-4"><a id="__codelineno-4-4" name="__codelineno-4-4" href="#__codelineno-4-4"></a><span class="c1">#SBATCH --ntasks=4</span>
</span><span id="__span-4-5"><a id="__codelineno-4-5" name="__codelineno-4-5" href="#__codelineno-4-5"></a><span class="c1">#SBATCH --ntasks-per-socket=1</span>
</span><span id="__span-4-6"><a id="__codelineno-4-6" name="__codelineno-4-6" href="#__codelineno-4-6"></a><span class="c1">#SBATCH --mem-per-cpu=16000</span>
</span><span id="__span-4-7"><a id="__codelineno-4-7" name="__codelineno-4-7" href="#__codelineno-4-7"></a><span class="c1">#SBATCH --cpus-per-task=8</span>
</span><span id="__span-4-8"><a id="__codelineno-4-8" name="__codelineno-4-8" href="#__codelineno-4-8"></a><span class="c1">#SBATCH --partition=hourly</span>
</span><span id="__span-4-9"><a id="__codelineno-4-9" name="__codelineno-4-9" href="#__codelineno-4-9"></a><span class="c1">#SBATCH --time=01:00:00</span>
</span><span id="__span-4-10"><a id="__codelineno-4-10" name="__codelineno-4-10" href="#__codelineno-4-10"></a><span class="c1">#SBATCH --output=srun_%j.out</span>
</span><span id="__span-4-11"><a id="__codelineno-4-11" name="__codelineno-4-11" href="#__codelineno-4-11"></a><span class="c1">#SBATCH --error=srun_%j.err</span>
</span><span id="__span-4-12"><a id="__codelineno-4-12" name="__codelineno-4-12" href="#__codelineno-4-12"></a><span class="c1">#SBATCH --hint=multithread</span>
</span><span id="__span-4-13"><a id="__codelineno-4-13" name="__codelineno-4-13" href="#__codelineno-4-13"></a>
</span><span id="__span-4-14"><a id="__codelineno-4-14" name="__codelineno-4-14" href="#__codelineno-4-14"></a>module<span class="w"> </span>purge
</span><span id="__span-4-15"><a id="__codelineno-4-15" name="__codelineno-4-15" href="#__codelineno-4-15"></a>module<span class="w"> </span>load<span class="w"> </span><span class="nv">$MODULE_NAME</span><span class="w"> </span><span class="c1"># where $MODULE_NAME is a software in PModules</span>
</span><span id="__span-4-16"><a id="__codelineno-4-16" name="__codelineno-4-16" href="#__codelineno-4-16"></a>srun<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span><span class="c1"># where $MYEXEC is a path to your binary file</span>
</span></code></pre></div>
<div class="admonition tip">
<p class="admonition-title">Memory Limit</p>
<p>Also, always consider that <code>--mem-per-cpu</code> x <code>--cpus-per-task</code> can <strong>never</strong> exceed the maximum amount of memory per node (352000MB).</p>
</div>
<h3 id="example-4-non-hyperthreaded-hybrid-mpiopenmp-job">Example 4: Non-hyperthreaded Hybrid MPI/OpenMP job<a class="headerlink" href="#example-4-non-hyperthreaded-hybrid-mpiopenmp-job" title="Permanent link"></a></h3>
<p>In this example, we want to run a Hybrid Job using MPI and OpenMP without hyperthreading. In this job, we want to run 4 MPI
tasks by using 8 CPUs per task. Each task in our example requires 128GB of memory. Then we specify 16000MB per CPU
(8 x 16000MB = 128000MB). Notice that since hyperthreading is disabled, Slurm will use 8 cores per task (disabling hyperthreading
we force the use of only 1 thread -a.k.a. 1 CPU- per core).</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-5-1"><a id="__codelineno-5-1" name="__codelineno-5-1" href="#__codelineno-5-1"></a><span class="ch">#!/bin/bash -l</span>
</span><span id="__span-5-2"><a id="__codelineno-5-2" name="__codelineno-5-2" href="#__codelineno-5-2"></a><span class="c1">#SBATCH --clusters=merlin6</span>
</span><span id="__span-5-3"><a id="__codelineno-5-3" name="__codelineno-5-3" href="#__codelineno-5-3"></a><span class="c1">#SBATCH --job-name=test</span>
</span><span id="__span-5-4"><a id="__codelineno-5-4" name="__codelineno-5-4" href="#__codelineno-5-4"></a><span class="c1">#SBATCH --ntasks=4</span>
</span><span id="__span-5-5"><a id="__codelineno-5-5" name="__codelineno-5-5" href="#__codelineno-5-5"></a><span class="c1">#SBATCH --ntasks-per-socket=1</span>
</span><span id="__span-5-6"><a id="__codelineno-5-6" name="__codelineno-5-6" href="#__codelineno-5-6"></a><span class="c1">#SBATCH --mem-per-cpu=16000</span>
</span><span id="__span-5-7"><a id="__codelineno-5-7" name="__codelineno-5-7" href="#__codelineno-5-7"></a><span class="c1">#SBATCH --cpus-per-task=8</span>
</span><span id="__span-5-8"><a id="__codelineno-5-8" name="__codelineno-5-8" href="#__codelineno-5-8"></a><span class="c1">#SBATCH --partition=hourly</span>
</span><span id="__span-5-9"><a id="__codelineno-5-9" name="__codelineno-5-9" href="#__codelineno-5-9"></a><span class="c1">#SBATCH --time=01:00:00</span>
</span><span id="__span-5-10"><a id="__codelineno-5-10" name="__codelineno-5-10" href="#__codelineno-5-10"></a><span class="c1">#SBATCH --output=srun_%j.out</span>
</span><span id="__span-5-11"><a id="__codelineno-5-11" name="__codelineno-5-11" href="#__codelineno-5-11"></a><span class="c1">#SBATCH --error=srun_%j.err</span>
</span><span id="__span-5-12"><a id="__codelineno-5-12" name="__codelineno-5-12" href="#__codelineno-5-12"></a><span class="c1">#SBATCH --hint=nomultithread</span>
</span><span id="__span-5-13"><a id="__codelineno-5-13" name="__codelineno-5-13" href="#__codelineno-5-13"></a>
</span><span id="__span-5-14"><a id="__codelineno-5-14" name="__codelineno-5-14" href="#__codelineno-5-14"></a>module<span class="w"> </span>purge
</span><span id="__span-5-15"><a id="__codelineno-5-15" name="__codelineno-5-15" href="#__codelineno-5-15"></a>module<span class="w"> </span>load<span class="w"> </span><span class="nv">$MODULE_NAME</span><span class="w"> </span><span class="c1"># where $MODULE_NAME is a software in PModules</span>
</span><span id="__span-5-16"><a id="__codelineno-5-16" name="__codelineno-5-16" href="#__codelineno-5-16"></a>srun<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span><span class="c1"># where $MYEXEC is a path to your binary file</span>
</span></code></pre></div>
<div class="admonition tip">
<p class="admonition-title">Memory Limit</p>
<p>Also, always consider that <code>--mem-per-cpu</code> x <code>--cpus-per-task</code> can <strong>never</strong> exceed the maximum amount of memory per node (352000MB).</p>
</div>
<h2 id="gpu-examples">GPU examples<a class="headerlink" href="#gpu-examples" title="Permanent link"></a></h2>
<p>Using GPUs requires two major changes. First, the cluster needs to be specified
to <code>gmerlin6</code>. This should also be added to later commands pertaining to the
job, e.g. <code>scancel --cluster=gmerlin6 &lt;jobid&gt;</code>. Second, the number of GPUs
should be specified using <code>--gpus</code>, <code>--gpus-per-task</code>, or similar parameters.
Here's an example for a simple test job:</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-6-1"><a id="__codelineno-6-1" name="__codelineno-6-1" href="#__codelineno-6-1"></a><span class="ch">#!/bin/bash</span>
</span><span id="__span-6-2"><a id="__codelineno-6-2" name="__codelineno-6-2" href="#__codelineno-6-2"></a><span class="c1">#SBATCH --partition=gpu # Or 'gpu-short' for higher priority but 2-hour limit</span>
</span><span id="__span-6-3"><a id="__codelineno-6-3" name="__codelineno-6-3" href="#__codelineno-6-3"></a><span class="c1">#SBATCH --cluster=gmerlin6 # Required for GPU</span>
</span><span id="__span-6-4"><a id="__codelineno-6-4" name="__codelineno-6-4" href="#__codelineno-6-4"></a><span class="c1">#SBATCH --gpus=2 # Total number of GPUs</span>
</span><span id="__span-6-5"><a id="__codelineno-6-5" name="__codelineno-6-5" href="#__codelineno-6-5"></a><span class="c1">#SBATCH --cpus-per-gpu=5 # Request CPU resources</span>
</span><span id="__span-6-6"><a id="__codelineno-6-6" name="__codelineno-6-6" href="#__codelineno-6-6"></a><span class="c1">#SBATCH --time=1-00:00:00 # Define max time job will run</span>
</span><span id="__span-6-7"><a id="__codelineno-6-7" name="__codelineno-6-7" href="#__codelineno-6-7"></a><span class="c1">#SBATCH --output=myscript.out # Define your output file</span>
</span><span id="__span-6-8"><a id="__codelineno-6-8" name="__codelineno-6-8" href="#__codelineno-6-8"></a><span class="c1">#SBATCH --error=myscript.err # Define your error file</span>
</span><span id="__span-6-9"><a id="__codelineno-6-9" name="__codelineno-6-9" href="#__codelineno-6-9"></a>
</span><span id="__span-6-10"><a id="__codelineno-6-10" name="__codelineno-6-10" href="#__codelineno-6-10"></a>module<span class="w"> </span>purge
</span><span id="__span-6-11"><a id="__codelineno-6-11" name="__codelineno-6-11" href="#__codelineno-6-11"></a>module<span class="w"> </span>load<span class="w"> </span>cuda<span class="w"> </span><span class="c1"># load any needed modules here</span>
</span><span id="__span-6-12"><a id="__codelineno-6-12" name="__codelineno-6-12" href="#__codelineno-6-12"></a>srun<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span><span class="c1"># where $MYEXEC is a path to your binary file</span>
</span></code></pre></div>
<p>Slurm will automatically set the gpu visibility (eg <code>$CUDA_VISIBLE_DEVICES</code>).</p>
<h2 id="advanced-examples">Advanced examples<a class="headerlink" href="#advanced-examples" title="Permanent link"></a></h2>
<h3 id="array-jobs-launching-a-large-number-of-related-jobs">Array Jobs: launching a large number of related jobs<a class="headerlink" href="#array-jobs-launching-a-large-number-of-related-jobs" title="Permanent link"></a></h3>
<p>If you need to run a large number of jobs based on the same executable with systematically varying inputs,
e.g. for a parameter sweep, you can do this most easily in form of a <strong>simple array job</strong>.</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-7-1"><a id="__codelineno-7-1" name="__codelineno-7-1" href="#__codelineno-7-1"></a><span class="ch">#!/bin/bash</span>
</span><span id="__span-7-2"><a id="__codelineno-7-2" name="__codelineno-7-2" href="#__codelineno-7-2"></a><span class="c1">#SBATCH --job-name=test-array</span>
</span><span id="__span-7-3"><a id="__codelineno-7-3" name="__codelineno-7-3" href="#__codelineno-7-3"></a><span class="c1">#SBATCH --partition=daily</span>
</span><span id="__span-7-4"><a id="__codelineno-7-4" name="__codelineno-7-4" href="#__codelineno-7-4"></a><span class="c1">#SBATCH --ntasks=1</span>
</span><span id="__span-7-5"><a id="__codelineno-7-5" name="__codelineno-7-5" href="#__codelineno-7-5"></a><span class="c1">#SBATCH --time=08:00:00</span>
</span><span id="__span-7-6"><a id="__codelineno-7-6" name="__codelineno-7-6" href="#__codelineno-7-6"></a><span class="c1">#SBATCH --array=1-8</span>
</span><span id="__span-7-7"><a id="__codelineno-7-7" name="__codelineno-7-7" href="#__codelineno-7-7"></a>
</span><span id="__span-7-8"><a id="__codelineno-7-8" name="__codelineno-7-8" href="#__codelineno-7-8"></a><span class="nb">echo</span><span class="w"> </span><span class="k">$(</span>date<span class="k">)</span><span class="w"> </span><span class="s2">"I am job number </span><span class="si">${</span><span class="nv">SLURM_ARRAY_TASK_ID</span><span class="si">}</span><span class="s2">"</span>
</span><span id="__span-7-9"><a id="__codelineno-7-9" name="__codelineno-7-9" href="#__codelineno-7-9"></a>srun<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span>config-file-<span class="si">${</span><span class="nv">SLURM_ARRAY_TASK_ID</span><span class="si">}</span>.dat
</span></code></pre></div>
<p>This will run 8 independent jobs, where each job can use the counter
variable <code>SLURM_ARRAY_TASK_ID</code> defined by Slurm inside of the job's
environment to feed the correct input arguments or configuration file
to the "myprogram" executable. Each job will receive the same set of
configurations (e.g. time limit of 8h in the example above).</p>
<p>The jobs are independent, but they will run in parallel (if the cluster resources allow for
it). The jobs will get JobIDs like {some-number}_0 to {some-number}_7, and they also will each
have their own output file.</p>
<div class="admonition note">
<p class="admonition-title">Note</p>
<ul>
<li>Do not use such jobs if you have very short tasks, since each array sub job will incur the full overhead for launching an independent Slurm job. For such cases you should used a <strong>packed job</strong> (see below).</li>
<li>If you want to control how many of these jobs can run in parallel, you can use the <code>#SBATCH --array=1-100%5</code> syntax. The <code>%5</code> will define
that only 5 sub jobs may ever run in parallel.</li>
</ul>
</div>
<p>You also can use an array job approach to run over all files in a directory, substituting the payload with</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-8-1"><a id="__codelineno-8-1" name="__codelineno-8-1" href="#__codelineno-8-1"></a><span class="nv">FILES</span><span class="o">=(</span>/path/to/data/*<span class="o">)</span>
</span><span id="__span-8-2"><a id="__codelineno-8-2" name="__codelineno-8-2" href="#__codelineno-8-2"></a>srun<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span><span class="si">${</span><span class="nv">FILES</span><span class="p">[</span><span class="nv">$SLURM_ARRAY_TASK_ID</span><span class="p">]</span><span class="si">}</span>
</span></code></pre></div>
<p>Or for a trivial case you could supply the values for a parameter scan in form
of a argument list that gets fed to the program using the counter variable.</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-9-1"><a id="__codelineno-9-1" name="__codelineno-9-1" href="#__codelineno-9-1"></a><span class="nv">ARGS</span><span class="o">=(</span><span class="m">0</span>.05<span class="w"> </span><span class="m">0</span>.25<span class="w"> </span><span class="m">0</span>.5<span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="m">5</span><span class="w"> </span><span class="m">100</span><span class="o">)</span>
</span><span id="__span-9-2"><a id="__codelineno-9-2" name="__codelineno-9-2" href="#__codelineno-9-2"></a>srun<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span><span class="si">${</span><span class="nv">ARGS</span><span class="p">[</span><span class="nv">$SLURM_ARRAY_TASK_ID</span><span class="p">]</span><span class="si">}</span>
</span></code></pre></div>
<h3 id="array-jobs-running-very-long-tasks-with-checkpoint-files">Array jobs: running very long tasks with checkpoint files<a class="headerlink" href="#array-jobs-running-very-long-tasks-with-checkpoint-files" title="Permanent link"></a></h3>
<p>If you need to run a job for much longer than the queues (partitions) permit, and
your executable is able to create checkpoint files, you can use this
strategy:</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-10-1"><a id="__codelineno-10-1" name="__codelineno-10-1" href="#__codelineno-10-1"></a><span class="ch">#!/bin/bash</span>
</span><span id="__span-10-2"><a id="__codelineno-10-2" name="__codelineno-10-2" href="#__codelineno-10-2"></a><span class="c1">#SBATCH --job-name=test-checkpoint</span>
</span><span id="__span-10-3"><a id="__codelineno-10-3" name="__codelineno-10-3" href="#__codelineno-10-3"></a><span class="c1">#SBATCH --partition=general</span>
</span><span id="__span-10-4"><a id="__codelineno-10-4" name="__codelineno-10-4" href="#__codelineno-10-4"></a><span class="c1">#SBATCH --ntasks=1</span>
</span><span id="__span-10-5"><a id="__codelineno-10-5" name="__codelineno-10-5" href="#__codelineno-10-5"></a><span class="c1">#SBATCH --time=7-00:00:00 # each job can run for 7 days</span>
</span><span id="__span-10-6"><a id="__codelineno-10-6" name="__codelineno-10-6" href="#__codelineno-10-6"></a><span class="c1">#SBATCH --cpus-per-task=1</span>
</span><span id="__span-10-7"><a id="__codelineno-10-7" name="__codelineno-10-7" href="#__codelineno-10-7"></a><span class="c1">#SBATCH --array=1-10%1 # Run a 10-job array, one job at a time.</span>
</span><span id="__span-10-8"><a id="__codelineno-10-8" name="__codelineno-10-8" href="#__codelineno-10-8"></a><span class="k">if</span><span class="w"> </span><span class="nb">test</span><span class="w"> </span>-e<span class="w"> </span>checkpointfile<span class="p">;</span><span class="w"> </span><span class="k">then</span>
</span><span id="__span-10-9"><a id="__codelineno-10-9" name="__codelineno-10-9" href="#__codelineno-10-9"></a><span class="w"> </span><span class="c1"># There is a checkpoint file;</span>
</span><span id="__span-10-10"><a id="__codelineno-10-10" name="__codelineno-10-10" href="#__codelineno-10-10"></a><span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span>--read-checkp<span class="w"> </span>checkpointfile
</span><span id="__span-10-11"><a id="__codelineno-10-11" name="__codelineno-10-11" href="#__codelineno-10-11"></a><span class="k">else</span>
</span><span id="__span-10-12"><a id="__codelineno-10-12" name="__codelineno-10-12" href="#__codelineno-10-12"></a><span class="w"> </span><span class="c1"># There is no checkpoint file, start a new simulation.</span>
</span><span id="__span-10-13"><a id="__codelineno-10-13" name="__codelineno-10-13" href="#__codelineno-10-13"></a><span class="w"> </span><span class="nv">$MYEXEC</span>
</span><span id="__span-10-14"><a id="__codelineno-10-14" name="__codelineno-10-14" href="#__codelineno-10-14"></a><span class="k">fi</span>
</span></code></pre></div>
<p>The <code>%1</code> in the <code>#SBATCH --array=1-10%1</code> statement defines that only 1 subjob can ever run in parallel, so
this will result in subjob n+1 only being started when job n has finished. It will read the checkpoint file
if it is present.</p>
<h3 id="packed-jobs-running-a-large-number-of-short-tasks">Packed jobs: running a large number of short tasks<a class="headerlink" href="#packed-jobs-running-a-large-number-of-short-tasks" title="Permanent link"></a></h3>
<p>Since the launching of a Slurm job incurs some overhead, you should not submit each short task as a separate
Slurm job. Use job packing, i.e. you run the short tasks within the loop of a single Slurm job.</p>
<p>You can launch the short tasks using <code>srun</code> with the <code>--exclusive</code> switch (not to be confused with the
switch of the same name used in the SBATCH commands). This switch will ensure that only a specified
number of tasks can run in parallel.</p>
<p>As an example, the following job submission script will ask Slurm for
44 cores (threads), then it will run the =myprog= program 1000 times with
arguments passed from 1 to 1000. But with the =-N1 -n1 -c1
--exclusive= option, it will control that at any point in time only 44
instances are effectively running, each being allocated one CPU. You
can at this point decide to allocate several CPUs or tasks by adapting
the corresponding parameters.</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-11-1"><a id="__codelineno-11-1" name="__codelineno-11-1" href="#__codelineno-11-1"></a><span class="ch">#! /bin/bash</span>
</span><span id="__span-11-2"><a id="__codelineno-11-2" name="__codelineno-11-2" href="#__codelineno-11-2"></a><span class="c1">#SBATCH --job-name=test-checkpoint</span>
</span><span id="__span-11-3"><a id="__codelineno-11-3" name="__codelineno-11-3" href="#__codelineno-11-3"></a><span class="c1">#SBATCH --partition=general</span>
</span><span id="__span-11-4"><a id="__codelineno-11-4" name="__codelineno-11-4" href="#__codelineno-11-4"></a><span class="c1">#SBATCH --ntasks=1</span>
</span><span id="__span-11-5"><a id="__codelineno-11-5" name="__codelineno-11-5" href="#__codelineno-11-5"></a><span class="c1">#SBATCH --time=7-00:00:00</span>
</span><span id="__span-11-6"><a id="__codelineno-11-6" name="__codelineno-11-6" href="#__codelineno-11-6"></a><span class="c1">#SBATCH --ntasks=44 # defines the number of parallel tasks</span>
</span><span id="__span-11-7"><a id="__codelineno-11-7" name="__codelineno-11-7" href="#__codelineno-11-7"></a><span class="k">for</span><span class="w"> </span>i<span class="w"> </span><span class="k">in</span><span class="w"> </span><span class="o">{</span><span class="m">1</span>..1000<span class="o">}</span>
</span><span id="__span-11-8"><a id="__codelineno-11-8" name="__codelineno-11-8" href="#__codelineno-11-8"></a><span class="k">do</span>
</span><span id="__span-11-9"><a id="__codelineno-11-9" name="__codelineno-11-9" href="#__codelineno-11-9"></a><span class="w"> </span>srun<span class="w"> </span>-N1<span class="w"> </span>-n1<span class="w"> </span>-c1<span class="w"> </span>--exclusive<span class="w"> </span><span class="nv">$MYEXEC</span><span class="w"> </span><span class="nv">$i</span><span class="w"> </span><span class="p">&amp;</span>
</span><span id="__span-11-10"><a id="__codelineno-11-10" name="__codelineno-11-10" href="#__codelineno-11-10"></a><span class="k">done</span>
</span><span id="__span-11-11"><a id="__codelineno-11-11" name="__codelineno-11-11" href="#__codelineno-11-11"></a><span class="nb">wait</span>
</span></code></pre></div>
<div class="admonition note">
<p class="admonition-title">Note</p>
<p>The <code>&amp;</code> at the end of the <code>srun</code> line is needed to not have the script waiting (blocking).
The <code>wait</code> command waits for all such background tasks to finish and returns the exit code.</p>
</div>
<h2 id="hands-on-example">Hands-On Example<a class="headerlink" href="#hands-on-example" title="Permanent link"></a></h2>
<p>Copy-paste the following example in a file called myAdvancedTest.batch):</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-12-1"><a id="__codelineno-12-1" name="__codelineno-12-1" href="#__codelineno-12-1"></a><span class="ch">#!/bin/bash</span>
</span><span id="__span-12-2"><a id="__codelineno-12-2" name="__codelineno-12-2" href="#__codelineno-12-2"></a><span class="c1">#SBATCH --partition=daily # name of slurm partition to submit</span>
</span><span id="__span-12-3"><a id="__codelineno-12-3" name="__codelineno-12-3" href="#__codelineno-12-3"></a><span class="c1">#SBATCH --time=2:00:00 # limit the execution of this job to 2 hours, see sinfo for the max. allowance</span>
</span><span id="__span-12-4"><a id="__codelineno-12-4" name="__codelineno-12-4" href="#__codelineno-12-4"></a><span class="c1">#SBATCH --nodes=2 # number of nodes</span>
</span><span id="__span-12-5"><a id="__codelineno-12-5" name="__codelineno-12-5" href="#__codelineno-12-5"></a><span class="c1">#SBATCH --ntasks=44 # number of tasks</span>
</span><span id="__span-12-6"><a id="__codelineno-12-6" name="__codelineno-12-6" href="#__codelineno-12-6"></a><span class="c1">#SBATCH --ntasks-per-core=1 # Request the max ntasks be invoked on each core</span>
</span><span id="__span-12-7"><a id="__codelineno-12-7" name="__codelineno-12-7" href="#__codelineno-12-7"></a><span class="c1">#SBATCH --hint=nomultithread # Don't use extra threads with in-core multi-threading</span>
</span><span id="__span-12-8"><a id="__codelineno-12-8" name="__codelineno-12-8" href="#__codelineno-12-8"></a>
</span><span id="__span-12-9"><a id="__codelineno-12-9" name="__codelineno-12-9" href="#__codelineno-12-9"></a>module<span class="w"> </span>load<span class="w"> </span>gcc/9.2.0<span class="w"> </span>openmpi/3.1.5-1_merlin6
</span><span id="__span-12-10"><a id="__codelineno-12-10" name="__codelineno-12-10" href="#__codelineno-12-10"></a>module<span class="w"> </span>list
</span><span id="__span-12-11"><a id="__codelineno-12-11" name="__codelineno-12-11" href="#__codelineno-12-11"></a>
</span><span id="__span-12-12"><a id="__codelineno-12-12" name="__codelineno-12-12" href="#__codelineno-12-12"></a><span class="nb">echo</span><span class="w"> </span><span class="s2">"Example no-MPI:"</span><span class="w"> </span><span class="p">;</span><span class="w"> </span>hostname<span class="w"> </span><span class="c1"># will print one hostname per node</span>
</span><span id="__span-12-13"><a id="__codelineno-12-13" name="__codelineno-12-13" href="#__codelineno-12-13"></a><span class="nb">echo</span><span class="w"> </span><span class="s2">"Example MPI:"</span><span class="w"> </span><span class="p">;</span><span class="w"> </span>srun<span class="w"> </span>hostname<span class="w"> </span><span class="c1"># will print one hostname per ntask</span>
</span></code></pre></div>
<p>In the above example are specified the options <code>--nodes=2</code> and <code>--ntasks=44</code>. This means that up 2 nodes are requested,
and is expected to run 44 tasks. Hence, 44 cores are needed for running that job. Slurm will try to allocate a maximum of
2 nodes, both together having at least 44 cores. Since our nodes have 44 cores / each, if nodes are empty (no other users
have running jobs there), job can land on a single node (it has enough cores to run 44 tasks).</p>
<p>If we want to ensure that job is using at least two different nodes (i.e. for boosting CPU frequency, or because the job
requires more memory per core) you should specify other options.</p>
<p>A good example is <code>--ntasks-per-node=22</code>. This will equally distribute 22 tasks on 2 nodes.</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-13-1"><a id="__codelineno-13-1" name="__codelineno-13-1" href="#__codelineno-13-1"></a><span class="c1">#SBATCH --ntasks-per-node=22</span>
</span></code></pre></div>
<p>A different example could be by specifying how much memory per core is needed. For instance <code>--mem-per-cpu=32000</code> will reserve
~32000MB per core. Since we have a maximum of 352000MB per Apollo node, Slurm will be only able to allocate 11 cores (32000MB x 11cores = 352000MB) per node.
It means that 4 nodes will be needed (max 11 tasks per node due to memory definition, and we need to run 44 tasks), in this case we need to change <code>--nodes=4</code>
(or remove <code>--nodes</code>). Alternatively, we can decrease <code>--mem-per-cpu</code> to a lower value which can allow the use of at least 44 cores per node (i.e. with <code>16000</code>
should be able to use 2 nodes)</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-14-1"><a id="__codelineno-14-1" name="__codelineno-14-1" href="#__codelineno-14-1"></a><span class="c1">#SBATCH --mem-per-cpu=16000</span>
</span></code></pre></div>
<p>Finally, in order to ensure exclusivity of the node, an option <em>--exclusive</em> can be used (see below). This will ensure that
the requested nodes are exclusive for the job (no other users jobs will interact with this node, and only completely
free nodes will be allocated).</p>
<div class="language-bash highlight"><span class="filename">Bash</span><pre><span></span><code><span id="__span-15-1"><a id="__codelineno-15-1" name="__codelineno-15-1" href="#__codelineno-15-1"></a><span class="c1">#SBATCH --exclusive</span>
</span></code></pre></div>
<p>This can be combined with the previous examples.</p>
<p>More advanced configurations can be defined and can be combined with the previous examples. More information about advanced
options can be found in the following link: <a href="https://slurm.schedmd.com/sbatch.html">https://slurm.schedmd.com/sbatch.html</a> (or run <code>man sbatch</code>).</p>
<p>If you have questions about how to properly execute your jobs, please contact us through <a href="mailto:merlin-admins@lists.psi.ch">merlin-admins@lists.psi.ch</a>. Do not run
advanced configurations unless your are sure of what you are doing.</p>
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