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set of CI module images in 2025</a></li> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/217.html#checks-for-uninitialized-variables-disabled-in-latest-intel-fortran-compiler">Checks for uninitialized variables disabled in latest Intel Fortran compiler</a></li> </ul> </li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/217.html#a-shared-ai-system-for-eleven-mpis">A Shared AI System for Eleven MPIs</a></li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/217.html#events">Events</a><ul> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/217.html#international-hpc-summer-school-2025">International HPC Summer School 2025</a></li> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/217.html#introduction-to-mpcdf-services">Introduction to MPCDF services</a></li> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/217.html#meet-mpcdf">Meet 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href="../../../../bnb/216.html#new-module-images-available-in-mpcdf-gitlab">New module images available in MPCDF GitLab</a></li> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/216.html#nvidia-hpc-sdk-version-24-3-available-on-raven">Nvidia HPC SDK version 24.3 available on <em>Raven</em></a></li> </ul> </li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/216.html#major-change-in-the-python-infrastructure-on-the-hpc-clusters">Major Change in the Python Infrastructure on the HPC Clusters</a></li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/216.html#introducing-containerized-applications-as-part-of-the-mpcdf-software-stack">Introducing containerized Applications as Part of the MPCDF Software Stack</a></li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/216.html#nexus-s3-object-storage-in-the-hpc-cloud-and-beyond">Nexus-S3: Object Storage in the HPC-Cloud and beyond</a><ul> 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class="reference internal" href="../../../../bnb/214.html#module-software-stacks-for-continuous-integration-pipelines-on-mpcdf-gitlab-shared-cloud-runners">Module Software Stacks for Continuous Integration Pipelines on MPCDF GitLab Shared Cloud Runners</a><ul> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/214.html#introducing-a-novel-module-enabled-docker-image-infrastructure">Introducing a novel module-enabled Docker image infrastructure</a></li> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/214.html#announcing-legacy-status-and-later-discontinuation-of-the-module-image">Announcing legacy status and later discontinuation of the <code class="docutils literal notranslate"><span class="pre">module-image</span></code></a></li> </ul> </li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/214.html#compressed-portable-conda-environments-for-hpc-systems">Compressed Portable Conda Environments for HPC 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compilers and libraries: Intel oneAPI 2023.1</a></li> </ul> </li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/213.html#using-linters-to-improve-and-maintain-code-quality">Using linters to improve and maintain code quality</a></li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/213.html#hpc-cloud-object-storage">HPC-Cloud Object Storage</a></li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/213.html#jade-automated-slurm-deployments-in-the-hpc-cloud">JADE - Automated Slurm deployments in the HPC-Cloud</a></li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/213.html#gitlab-tips-tricks">GitLab: Tips & Tricks</a><ul> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/213.html#online-editing-of-source-code-revisited">Online editing of source code revisited</a></li> <li class="toctree-l4"><a class="reference internal" 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class="reference internal" href="../../../../bnb/212.html">No.212, April 2023</a><ul> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/212.html#high-performance-computing">High-performance Computing</a><ul> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/212.html#new-supercomputer-of-the-mpg-cobra-successor">New Supercomputer of the MPG - <em>Cobra</em> successor</a></li> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/212.html#documentation-of-hpc-hardware-characteristics">Documentation of HPC hardware characteristics</a></li> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/212.html#cmake-recipes-repository">CMake Recipes Repository</a></li> </ul> </li> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/212.html#mpcdf-hpc-cloud">MPCDF HPC Cloud</a><ul> <li class="toctree-l4"><a class="reference internal" 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Conference</a></li> </ul> </li> </ul> </li> <li class="toctree-l2"><a class="reference internal" href="../../../../bnb/211.html">No.211, December 2022</a><ul> <li class="toctree-l3"><a class="reference internal" href="../../../../bnb/211.html#high-performance-computing">High-performance Computing</a><ul> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/211.html#anaconda-python-modules">Anaconda Python modules</a></li> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/211.html#hints-for-architecture-specific-and-optimized-cuda-compilation">Hints for architecture-specific and optimized CUDA compilation</a></li> <li class="toctree-l4"><a class="reference internal" href="../../../../bnb/211.html#new-intel-c-c-compilers-and-associated-mpcdf-software-stack">New Intel C/C++ compilers and associated MPCDF software stack</a></li> <li class="toctree-l4"><a class="reference internal" 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class="section" id="iron-research"> <h1>Iron Research<a class="headerlink" href="#iron-research" title="Permalink to this heading"></a></h1> <hr class="docutils" /> <dl class="simple"> <dt>Name of the cluster:</dt><dd><p><strong>CMMC-CMTI-CMMG</strong></p> </dd> <dt>Institution:</dt><dd><p><strong>Max Planck Institute for Iron Research</strong></p> </dd> </dl> <div class="section" id="login-nodes"> <h2>Login nodes:<a class="headerlink" href="#login-nodes" title="Permalink to this heading"></a></h2> <table class="hlist"><tr><td><ul class="simple"> <li><p>cmti001.bc.mpcdf.mpg.de</p></li> </ul> </td><td><ul class="simple"> <li><p>cmti002.bc.mpcdf.mpg.de</p></li> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> 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</ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td><td><ul class="simple"> </ul> </td></tr></table> </div> <div class="section" id="hardware-configuration"> <h2>Hardware Configuration:<a class="headerlink" href="#hardware-configuration" title="Permalink to this heading"></a></h2> <table class="docutils align-default"> <colgroup> <col style="width: 17%" /> <col style="width: 17%" /> <col style="width: 29%" /> <col style="width: 37%" /> </colgroup> <thead> <tr class="row-odd"><th class="head" rowspan="2"></th> <th class="head"><p>Login nodes</p></th> <th class="head"><p>Compute nodes (14320 CPU cores)</p></th> <th class="head"><p>Compute nodes (24.576 CPU cores)</p></th> </tr> <tr class="row-even"><th class="head"><p>cmti[001-002]</p></th> <th class="head"><p>cmti[003-360]</p></th> <th class="head"><p>cmmg[001-096]</p></th> </tr> </thead> <tbody> <tr class="row-odd"><td><p>CPU</p></td> <td colspan="2"><p>Intel(R) Xeon(R) Gold 6230 CPU @ 2.10GHz</p></td> <td><p>AMD EPYC 9754 128-Core Processor</p></td> </tr> <tr class="row-even"><td><p>CPU(s)</p></td> <td><p>40</p></td> <td><p>40</p></td> <td><p>512</p></td> </tr> <tr class="row-odd"><td><p>Thread(s) per core</p></td> <td><p>1</p></td> <td><p>1</p></td> <td><p>2</p></td> </tr> <tr class="row-even"><td><p>Core(s) per socket</p></td> <td><p>20</p></td> <td><p>20</p></td> <td><p>128</p></td> </tr> <tr class="row-odd"><td><p>Socket(s)</p></td> <td><p>2</p></td> <td><p>2</p></td> <td><p>2</p></td> </tr> <tr class="row-even"><td><p>RAM</p></td> <td><p>192 GB</p></td> <td><p>192 GB</p></td> <td><p>768 GB</p></td> </tr> </tbody> </table> <ul class="simple"> <li><p>cmmg[001-096] nodes: interconnect is based on Mellanox Technologies InfiniBand fabric NDR200 (Speed: 200Gb)</p></li> <li><p>cmti[001-360] nodes: interconnect is based on Intel Omni-Path Fabric Technologies (Speed: 100Gb)</p></li> </ul> </div> <div class="section" id="filesystems"> <h2>Filesystems:<a class="headerlink" href="#filesystems" title="Permalink to this heading"></a></h2> <p>GPFS-based with total size of 420 TB and independent inode space for the following filesets:</p> <dl class="option-list"> <dt><kbd><span class="option">/u</span></kbd></dt> <dd><p>shared home filesystem; GPFS-based; user quotas (currently default is 1TB) enforced; quota can be checked with ‘/usr/lpp/mmfs/bin/mmlsquota’.</p> </dd> </dl> <dl class="simple"> <dt>/cmmc/ptmp</dt><dd><p>shared scratch filesystem ; GPFS-based; no quotas enforced; NO BACKUPS!</p> </dd> </dl> </div> <div class="section" id="compilers-and-libraries"> <h2>Compilers and Libraries:<a class="headerlink" href="#compilers-and-libraries" title="Permalink to this heading"></a></h2> <p>The “module” subsystem is implemented on <strong>CMMC</strong>. Please use ‘module available’ to see all available modules.</p> <ul class="simple"> <li><p>Intel compilers (-> ‘module load intel’): icc, icpc, ifort</p></li> <li><p>GNU compilers (-> ‘module load gcc’): gcc, g++, gfortran</p></li> <li><p>Intel MKL (-> ‘module load mkl’): $MKL_HOME defined; libraries found in $MKL_HOME/lib/intel64</p></li> <li><p>Intel MPI (-> ‘module load impi’): mpicc, mpigcc, mpiicc, mpiifort, mpiexec, … This module becomes visible and loadable only after a compiler module (Intel or GCC) has been loaded</p></li> <li><p>Python (-> ‘module load anaconda’): python</p></li> </ul> </div> <div class="section" id="batch-system-based-on-slurm"> <h2>Batch system based on Slurm:<a class="headerlink" href="#batch-system-based-on-slurm" title="Permalink to this heading"></a></h2> <p>The batch system on CMMC is the Slurm Workload Manager. A brief introduction into the basic commands (srun, sbatch, squeue, scancel, …) can be found on the <a class="reference external" href="/doc/computing/cobra-user-guide">Cobra home page</a> For more detailed information, see the <a class="reference external" href="https://slurm.schedmd.com">Slurm handbook</a>. See also the <a class="reference external" href="/doc/computing/cobra-user-guide#slurm-example-batch-scripts">sample batch scripts</a> which must be modified for the CMMC-CMTI-CMMG cluster.</p> <div class="section" id="current-slurm-configuration-on-cmmc-cmti-cmmg"> <h3>Current Slurm configuration on CMMC-CMTI-CMMG:<a class="headerlink" href="#current-slurm-configuration-on-cmmc-cmti-cmmg" title="Permalink to this heading"></a></h3> <ul class="simple"> <li><p>default turnaround time: 24 hours</p></li> <li><p>current max. turnaround time (wallclock): 96 hours</p></li> <li><p>two partitions: p.cmfe and s.cmfe (default)</p></li> <li><p>p.cmfe partition: for parallel MPI or hybrid MPI/OpenMP jobs. Resources are exclusively allocated on nodes. Max. nodes per job is 44</p></li> <li><p>s.cmfe partition: for serial or OpenMP jobs. Nodes are shared. Jobs are limited to use CPUs only on one node. Default RAM per CPU is 2 GB</p></li> <li><p>cmti nodes features: cmti, cascadelake, mem192G</p></li> </ul> </div> </div> <div class="section" id="useful-tips"> <h2>Useful tips:<a class="headerlink" href="#useful-tips" title="Permalink to this heading"></a></h2> <p>By default run time limit used for jobs that don’t specify a value is 24 hours. Use <span class="bolditalic">--time</span> option for sbatch/srun to set a limit on the total run time of the job allocation but not longer than 96 hours</p> <p>By default jobs use all memory on nodes in p.cmfe partition.</p> <div class="line-block"> <div class="line">In s.cmfe partition default allocated memory per job is 2048 MB. To grant the job access to use more or less memory on each node use <span class="bolditalic">--mem</span> or <span class="bolditalic">--mem-per-cpu</span> options for sbatch/srun</div> <div class="line">Note that the maximum amount of memory available for slurm jobs is less than the hardware specification. Real memory is 125000 MB for cmfe, and 188000 MB for cmti. If you ask for more memory, your job cannot be scheduled. If you need to exceed the fair share of memory (3 GB per core on cmfe, 4700 MB per core on cmti), please leave min. 2GB per unused core, to ensure that other jobs can use them. Occasional exceptions to this are acceptable if a job requires a higher RAM/CPU core ratio due to limitations in (efficient) parallelization - notably if using more cores would slow down the calculation, or increase the total memory demand</div> </div> <p>The OpenMP codes require a variable <strong>OMP_NUM_THREADS</strong> to be set. This can be obtained from the Slurm environment variable <strong>$SLURM_CPUS_PER_TASK</strong> which is set when <span class="bolditalic">--cpus-per-task</span> is specified in a sbatch script (an example is on <a class="reference external" href="/doc/computing/clusters/aux/migration-from-sge-to-slurm">help information</a> page)</p> <div class="line-block"> <div class="line">To run code on nodes with different memory capacity (<em>128G; 192G</em>) use <span class="bolditalic">--constraint=<list></span> option in a sbatch script: <span class="bolditalic">--constraint=mem128G</span> or <span class="bolditalic">--constraint=mem192G</span></div> <div class="line">To run code on nodes with specific CPU architecture use <span class="bolditalic">--constraint=<list></span> option in a sbatch script: <span class="bolditalic">--constraint=broadwell</span> or <span class="bolditalic">--constraint=cascadelake</span></div> <div class="line">To run code on CMFE part of cluster use cmfe feature in sbatch script: <span class="bolditalic">--constraint=cmfe</span></div> <div class="line">To run code on CMTI part of cluster use <span class="bolditalic">--constraint=cmti</span> option in script</div> <div class="line">To check node features use <span class="bolditalic">sinfo -O nodelist,features:30</span></div> </div> </div> <div class="section" id="support"> <h2>Support:<a class="headerlink" href="#support" title="Permalink to this heading"></a></h2> <p>For support please create a trouble ticket at the <a class="reference external" href="https://helpdesk.mpcdf.mpg.de">MPCDF helpdesk.</a></p> </div> </div> </div> </div> <footer><div class="rst-footer-buttons" role="navigation" aria-label="Footer"> <a href="Gravitational_Physics_CRA.html" class="btn btn-neutral float-left" title="Gravitational Physics - CRA" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a> <a href="MPSD_PKS_ADA.html" class="btn btn-neutral float-right" title="MPSD / PKS" accesskey="n" rel="next">Next <span class="fa fa-arrow-circle-right" aria-hidden="true"></span></a> </div> <hr/> <div role="contentinfo"> <p> <span class="lastupdated">Last updated on Apr 02, 2024. </span></p> </div> <p> © Copyright <a href="https://www.mpcdf.mpg.de/">Max Planck Computing and Data Facility</a> | <a href="https://www.mpcdf.mpg.de/imprint">Imprint</a> | <a href="https://www.mpcdf.mpg.de/privacy-policy">Privacy Policy</a> </p> <p> Built with <a href="https://www.sphinx-doc.org">Sphinx</a> using a <a href="https://github.com/rtfd/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>. </p> </footer> </div> </div> </section> </div> <script> jQuery(function () { SphinxRtdTheme.Navigation.enable(true); }); </script> </body> </html>