HPC application list updated (#4066) (#4244)

* 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>
This commit is contained in:
Pratik Basyal
2025-01-08 10:06:54 -05:00
committed by GitHub
parent 596e606edc
commit b606b1577d

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