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documentation/md_case.html

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<tr class="markdownTableRowEven">
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<td class="markdownTableBodyRight"><code>viscous</code> </td><td class="markdownTableBodyCenter">Logical </td><td class="markdownTableBodyLeft">Activate viscosity </td></tr>
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<td class="markdownTableBodyRight"><code>hypoelasticity</code> </td><td class="markdownTableBodyCenter">Logical </td><td class="markdownTableBodyLeft">Activate hypoelasticity* </td></tr>
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<td class="markdownTableBodyRight"><code>hypoelasticity</code> </td><td class="markdownTableBodyCenter">Logical </td><td class="markdownTableBodyLeft">Activate hypoelasticity* </td></tr>
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<tr class="markdownTableRowEven">
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<td class="markdownTableBodyRight"><code>igr</code> </td><td class="markdownTableBodyCenter">Logical </td><td class="markdownTableBodyLeft">Enable solution via information geometric regularization (IGR) <a class="el" href="md_references.html">Cao (2024)</a> </td></tr>
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<td class="markdownTableBodyRight"><code>igr_order</code> </td><td class="markdownTableBodyCenter">Integer </td><td class="markdownTableBodyLeft">Order of reconstruction for IGR [3,5] </td></tr>
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<td class="markdownTableBodyRight"><code>alf_factor</code> </td><td class="markdownTableBodyCenter">Real </td><td class="markdownTableBodyLeft">Alpha factor for IGR entropic pressure (default 10) </td></tr>
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<td class="markdownTableBodyRight"><code>igr_pres_lim</code> </td><td class="markdownTableBodyCenter">Logical </td><td class="markdownTableBodyLeft">Limit IGR pressure to avoid negative values (default F) </td></tr>
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<td class="markdownTableBodyRight"><code>igr_iter_solver</code> </td><td class="markdownTableBodyCenter">Integer </td><td class="markdownTableBodyLeft">Solution method for IGR elliptic solve [1] Jacobi [2] Gauss-Seidel </td></tr>
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<td class="markdownTableBodyRight"><code>num_igr_iters</code> </td><td class="markdownTableBodyCenter">Integer </td><td class="markdownTableBodyLeft">Number of iterations for for the IGR elliptic solve (default 2) </td></tr>
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<td class="markdownTableBodyRight"><code>num_igr_warm_start_iters</code> </td><td class="markdownTableBodyCenter">Integer </td><td class="markdownTableBodyLeft">Number of iterations for the IGR elliptic solve at the first time step (default 50) </td></tr>
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<ul>
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<li>* Options that work only with <code>model_eqns = 2</code>.</li>
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<td class="markdownTableBodyRight"><code>length_x[y,z]</code>* </td><td class="markdownTableBodyCenter">Real </td><td class="markdownTableBodyLeft">Length of the boundary patch in the x[y,z]-direction </td></tr>
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<td class="markdownTableBodyRight"><code>radius</code>* </td><td class="markdownTableBodyCenter">Real </td><td class="markdownTableBodyLeft">Radius of the boundary patch </td></tr>
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<td class="markdownTableBodyRight"><code>radiue</code>* </td><td class="markdownTableBodyCenter">Real </td><td class="markdownTableBodyLeft">Radius of the boundary patch </td></tr>
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<p>*: These parameters should be prepended with <code>patch_bc(j)%</code> where $j$ is the patch index.</p>
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<p>Boundary condition patches can be used with the following boundary condition types:</p><ul>

documentation/md_examples.html

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Final Condition and Linear Theory</h2>
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<p><img src="result-2D_rayleigh_taylor-example.png" alt="" height="400" class="inline"/></p>
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<h1><a class="anchor" id="autotoc_md40"></a>
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2D Hardcodied IC Example</h1>
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Initial Condition and Result</h2>
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<p><img src="initial-2D_hardcodied_ic-example.png" alt="" width="45%" class="inline"/> <img src="result-2D_hardcodied_ic-example.png" alt="" width="45%" class="inline"/></p>
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Lax shock tube problem (1D)</h1>
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<p>Reference: </p><blockquote class="doxtable">
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<p>P. D. Lax, Weak solutions of nonlinear hyperbolic equations and their numerical computation, Communications on pure and applied mathematics 7 (1) (1954) 159–193. </p>
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Initial Condition</h2>
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<p><img src="initial-1D_laxshocktube-example.png" alt="" height="400" class="inline"/></p>
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Shu-Osher problem (1D)</h1>
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<p>Reference: </p><blockquote class="doxtable">
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<p>C. W. Shu, S. Osher, Efficient implementation of essentially non-oscillatory shock-capturing schemes, Journal of Computational Physics 77 (2) (1988) 439–471. doi:10.1016/0021-9991(88)90177-5. </p>
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Initial Condition</h2>
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<p><img src="initial-1D_shuosher_old-example.png" alt="" height="400" class="inline"/></p>
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Result</h2>
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<p><img src="result-1D_shuosher_old-example.png" alt="" height="400" class="inline"/></p>
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Lid-Driven Cavity Problem (2D)</h1>
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<p>Reference: </p><blockquote class="doxtable">
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<p>Bezgin, D. A., &amp; Buhendwa A. B., &amp; Adams N. A. (2022). JAX-FLUIDS: A fully-differentiable high-order computational fluid dynamics solver for compressible two-phase flows. arXiv:2203.13760 </p>
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<blockquote class="doxtable">
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<p>Ghia, U., &amp; Ghia, K. N., &amp; Shin, C. T. (1982). High-re solutions for incompressible flow using the Navier-Stokes equations and a multigrid method. Journal of Computational Physics, 48, 387-411 </p>
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<p>Video: <a href="https://youtube.com/shorts/JEP28scZrBM?feature=share">https://youtube.com/shorts/JEP28scZrBM?feature=share</a></p>
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<p><img src="final_condition-2D_lid_driven_cavity-example.png" alt="" height="400" class="inline"/></p>
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Centerline Velocities</h2>
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<p><img src="centerline_velocities-2D_lid_driven_cavity-example.png" alt="" height="400" class="inline"/></p>
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<p>Reference: </p><blockquote class="doxtable">
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<p>Chamarthi, A., &amp; Hoffmann, N., &amp; Nishikawa, H., &amp; Frankel S. (2023). Implicit gradients based conservative numerical scheme for compressible flows. arXiv:2110.05461 </p>
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Density Initial and Final Conditions</h2>
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<p><img src="alpha_rho1_initial-2D_riemann_test-example.png" alt="" width="45%" class="inline"/> <img src="alpha_rho1_final-2D_riemann_test-example.png" alt="" width="45%" class="inline"/></p>
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Isentropic vortex problem (2D)</h1>
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<p>Reference: </p><blockquote class="doxtable">
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<p>Coralic, V., &amp; Colonius, T. (2014). Finite-volume Weno scheme for viscous compressible multicomponent flows. Journal of Computational Physics, 274, 95–121. <a href="https://doi.org/10.1016/j.jcp.2014.06.003">https://doi.org/10.1016/j.jcp.2014.06.003</a> </p>
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Density</h2>
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<p><img src="alpha_rho1-2D_isentropicvortex-example.png" alt="" height="400" class="inline"/></p>
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Density Norms</h2>
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<p><img src="density_norms-2D_isentropicvortex-example.png" alt="" height="400" class="inline"/></p>
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Shock Droplet (2D)</h1>
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<p>Reference: </p><blockquote class="doxtable">
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<p>Panchal et. al., A Seven-Equation Diffused Interface Method for Resolved Multiphase Flows, JCP, 475 (2023) </p>
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Result</h2>
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<p>Reference: </p><blockquote class="doxtable">
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<p>V. A. Titarev, E. F. Toro, Finite-volume WENO schemes for three-dimensional conservation laws, Journal of Computational Physics 201 (1) (2004) 238–260. </p>
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<p><img src="result-1D_titarevtorro-example.png" alt="" heiht="400" class="inline"/></p>
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1D Multi-Component Reactive Shock Tube</h1>
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<p>References: </p><blockquote class="doxtable">
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<p>P. J. Martínez Ferrer, R. Buttay, G. Lehnasch, and A. Mura, “A detailed verification procedure for compressible reactive multicomponent Navier–Stokes solvers”, Computers &amp; Fluids, vol. 89, pp. 88–110, Jan. 2014. Accessed: Oct. 13, 2024. [Online]. Available: <a href="https://doi.org/10.1016/j.compfluid.2013.10.014">https://doi.org/10.1016/j.compfluid.2013.10.014</a> </p>
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<blockquote class="doxtable">
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<p>H. Chen, C. Si, Y. Wu, H. Hu, and Y. Zhu, “Numerical investigation of the effect of equivalence ratio on the propagation characteristics and performance of rotating detonation engine”, Int. J. Hydrogen Energy, Mar. 2023. Accessed: Oct. 13, 2024. [Online]. Available: <a href="https://doi.org/10.1016/j.ijhydene.2023.03.190">https://doi.org/10.1016/j.ijhydene.2023.03.190</a> </p>
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<p><img src="initial-1D_reactive_shocktube-example.png" alt="" height="400" class="inline"/></p>
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Results</h2>
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<p><img src="result-1D_reactive_shocktube-example.png" alt="" height="400" class="inline"/></p>
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IBM Bow Shock (3D)</h1>
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Final Condition</h2>
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<p><img src="result-3D_ibm_bowshock-example.png" alt="" height="400" class="inline"/></p>
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Perfectly Stirred Reactor</h1>
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<p>Reference: </p><blockquote class="doxtable">
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<p>G. B. Skinner and G. H. Ringrose, “Ignition Delays of a Hydrogen—Oxygen—Argon Mixture at Relatively Low Temperatures”, J. Chem. Phys., vol. 42, no. 6, pp. 2190–2192, Mar. 1965. Accessed: Oct. 13, 2024. [Online]. Available: <a href="https://doi.org/10.1063/1.1696266">https://doi.org/10.1063/1.1696266</a>. </p>
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<p>G. B. Skinner and G. H. Ringrose, “Ignition Delays of a Hydrogen—Oxygen—Argon Mixture at Relatively Low Temperatures”, J. Chem. Phys., vol. 42, no. 6, pp. 2190–2192, Mar. 1965. Accessed: Oct. 13, 2024. </p>
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<div class="fragment"><div class="line">$ python3 analyze.py</div>
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<div class="line">Induction Times ([OH] &gt;= 1e-6):</div>
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<div class="line"> + Skinner et al.: 5.200e-05 s</div>
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<div class="line"> + Cantera: 5.130e-05 s</div>
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<div class="line"> + (Che)MFC: 5.130e-05 s</div>
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</div><!-- fragment --><p><img src="result-nD_perfect_reactor-example.png" alt="" height="400" class="inline"/></p>
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Strong- &amp; Weak-scaling</h1>
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<p>The <a href="case.py"><b>Scaling</b></a> case can exercise both weak- and strong-scaling. It adjusts itself depending on the number of requested ranks.</p>
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<p>The scaling case can exercise both weak- and strong-scaling. It adjusts itself depending on the number of requested ranks.</p>
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<p>This directory also contains a collection of scripts used to test strong-scaling on OLCF Frontier. They required modifying MFC to collect some metrics but are meant to serve as a reference to users wishing to run similar experiments.</p>
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<p>Pass <code>--scaling weak</code>. The <code>--memory</code> option controls (approximately) how much memory each rank should use, in Gigabytes. The number of cells in each dimension is then adjusted according to the number of requested ranks and an approximation for the relation between cell count and memory usage. The problem size increases linearly with the number of ranks.</p>
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<p>Pass <code>--scaling strong</code>. The <code>--memory</code> option controls (approximately) how much memory should be used in total during simulation, across all ranks, in Gigabytes. The problem size remains constant as the number of ranks increases.</p>
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Example</h2>
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<p>For example, to run a weak-scaling test that uses ~4GB of GPU memory per rank on 8 2-rank nodes with case optimization, one could:</p>
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<div class="fragment"><div class="line">./mfc.sh run examples/scaling/case.py -t pre_process simulation \</div>
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<div class="line"> -e batch -p mypartition -N 8 -n 2 -w &quot;01:00:00&quot; -# &quot;MFC Weak Scaling&quot; \</div>
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<div class="line"> --case-optimization -j 32 -- --scaling weak --memory 4</div>
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2D Triple Point (2D)</h1>
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<p>Reference: </p><blockquote class="doxtable">
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<p>Trojak, W., &amp; Dzanic, T. Positivity-preserving discoutinous spectral element method for compressible multi-species flows. arXiv:2308.02426 </p>
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</blockquote>
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Numerical Schlieren at Final Time</h2>
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<p><img src="final-2D_triple_point-example.png" alt="" height="400" class="inline"/></p>
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<h1><a class="anchor" id="autotoc_md72"></a>
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2D Hardcodied IC Example</h1>
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Initial Condition and Result</h2>
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<p><img src="initial-2D_hardcoded_ic-example.png" alt="" width="45%" class="inline"/> <img src="result-2D_hardcoded_ic-example.png" alt="" width="45%" class="inline"/></p>
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Rayleigh-Taylor Instability (3D)</h1>
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</ul>
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<div class="fragment"><div class="line">. ./mfc.sh load</div>
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</div><!-- fragment --><ul>
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<li><b>Via <a href="https://wiki.debian.org/Aptitude">Aptitude</a>:</b></li>
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<li><b>Via Aptitude:</b></li>
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</ul>
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<div class="fragment"><div class="line">sudo apt update</div>
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<div class="line">sudo apt upgrade</div>

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