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* PETSc added * List of HPC applications updated for 6.2.4 * Leo's feedback incorporated * Review feedback incorporated * vllm removed --------- Co-authored-by: Leo Paoletti <164940351+lpaoletti@users.noreply.github.com>
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@@ -115,6 +115,12 @@ Ubuntu versions.
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for non-destructive testing or for ocean acoustics.
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* - Molecular dynamics
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- `Amber <https://github.com/amd/InfinityHub-CI/tree/main/amber>`_
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- Amber is a suite of biomolecular simulation programs. It is a set of molecular mechanical force fields for
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simulating biomolecules. Amber is also a package of molecular simulation
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programs which includes source code and demos.
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* -
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- `GROMACS with HIP (AMD implementation) <https://github.com/amd/InfinityHub-CI/tree/main/gromacs>`_
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- GROMACS is a versatile package to perform molecular dynamics, i.e.
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simulate the Newtonian equations of motion for systems with hundreds
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@@ -129,6 +135,13 @@ Ubuntu versions.
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Parallel Simulator.
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* - Computational fluid dynamics
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- `Ansys Fluent <https://github.com/amd/InfinityHub-CI/tree/main/ansys-fluent>`_
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- Ansys Fluent is an advanced computational fluid dynamics (CFD) tool for
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simulating and analyzing fluid flow, heat transfer, and related phenomena in complex systems.
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It offers a range of powerful features for detailed and accurate modeling of various physical
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processes, including turbulence, chemical reactions, and multiphase flows.
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* -
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- `NEKO <https://github.com/amd/InfinityHub-CI/tree/main/neko>`_
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- Neko is a portable framework for high-order spectral element flow simulations.
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Written in modern Fortran, Neko adopts an object-oriented approach, allowing
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@@ -141,6 +154,26 @@ Ubuntu versions.
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- nekRS is an open-source Navier Stokes solver based on the spectral element
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method targeting classical processors and accelerators like GPUs.
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* -
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- `OpenFOAM <https://github.com/amd/InfinityHub-CI/tree/main/openfoam>`_
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- OpenFOAM is a free, open-source computational fluid dynamics (CFD)
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tool developed primarily by OpenCFD Ltd. It has a large user
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base across most areas of engineering and science, from both commercial and
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academic organizations. OpenFOAM has extensive features to solve
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anything from complex fluid flows involving chemical reactions, turbulence, and
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heat transfer, to acoustics, solid mechanics, and electromagnetics.
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* -
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- `PeleC <https://github.com/amd/InfinityHub-CI/tree/main/pelec>`_
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- PeleC is an adaptive mesh refinement(AMR) solver for compressible reacting flows.
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* -
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- `Simcenter Star-CCM+ <https://github.com/amd/InfinityHub-CI/tree/main/siemens-star-ccm>`_
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- Simcenter Star-CCM+ is a comprehensive computational fluid dynamics (CFD) and multiphysics
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simulation tool developed by Siemens Digital Industries Software. It is designed to
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help engineers and researchers analyze and optimize the performance of products and
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systems across various industries.
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* - Computational chemistry
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- `QUDA <https://github.com/amd/InfinityHub-CI/tree/main/quda>`_
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- Library designed for efficient lattice QCD computations on
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@@ -170,12 +203,30 @@ Ubuntu versions.
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developing atmosphere, ocean, and other earth-system simulation components
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for use in climate, regional climate, and weather studies.
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* - Energy, Oil, and Gas
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- `DevitoPRO <https://github.com/amd/InfinityHub-CI/tree/main/devitopro>`_
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- DevitoPRO is an advanced extension of the open-source Devito platform with added
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features tailored for high-demand production workflows. It supports
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high-performance computing (HPC) needs, especially in seismic imaging and inversion.
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It is used to perform optimized finite difference (FD) computations
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from high-level symbolic problem definitions. DevitoPro performs automated
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code generation and Just-In-time (JIT) compilation based on symbolic equations
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defined in SymPy to create and execute highly optimized Finite Difference stencil
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kernels on multiple computer platforms.
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* -
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- `ECHELON <https://github.com/amd/InfinityHub-CI/tree/main/srt-echelon>`_
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- ECHELON by Stone Ridge Technology is a reservoir simulation tool. With
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fast processing, it retains precise accuracy and preserves legacy simulator results.
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Faster reservoir simulation enables reservoir engineers to produce many realizations,
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address larger models, and use advanced physics. It opens new workflows based on
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ensemble methodologies for history matching and forecasting that yield
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increased accuracy and more predictive results.
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* - Benchmark
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- `rocHPL <https://github.com/amd/InfinityHub-CI/tree/main/rochpl>`_
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- HPL, or High-Performance Linpack, is a benchmark which solves a uniformly
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random system of linear equations and reports floating-point execution rate.
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This documentation supports the implementation of the HPL benchmark on
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top of AMD's ROCm platform.
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- HPL, or High-Performance Linpack, is a benchmark which solves a uniformly
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random system of linear equations and reports floating-point execution rate.
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* -
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- `rocHPL-MxP <https://github.com/amd/InfinityHub-CI/tree/main/hpl-mxp>`_
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@@ -216,6 +267,14 @@ Ubuntu versions.
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range of hardware platforms via use of an in-built domain specific language derived
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from the Mako templating engine.
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* -
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- `PETSc <https://github.com/amd/InfinityHub-CI/tree/main/petsc>`_
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- Portable, Extensible Toolkit for Scientific Computation (PETSc) is a suite of data structures
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and routines for the scalable (parallel) solution of scientific applications modeled by partial
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differential equations. It supports MPI, GPUs through CUDA, HIP, and OpenCL,
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as well as hybrid MPI-GPU parallelism. It also supports the NEC-SX Tsubasa Vector Engine.
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PETSc also includes the Toolkit for Advanced Optimization (TAO) library.
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* -
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- `RAJA <https://github.com/amd/InfinityHub-CI/tree/main/raja>`_
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- RAJA is a library of C++ software abstractions, primarily developed at Lawrence
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