@@ -8,12 +8,12 @@ The UEABS has been and will be actively updated and maintained by the subsequent
...
@@ -8,12 +8,12 @@ The UEABS has been and will be actively updated and maintained by the subsequent
Each application code has either one, or two input datasets. If there are two datasets, Test Case A is designed to run on Tier-1 sized systems (up to around 1,000 x86 cores, or equivalent) and Test Case B is designed to run on Tier-0 sized systems (up to around 10,000 x86 cores, or equivalent). If there is only one dataset (Test Case A), it is suitable for both sizes of system.
Each application code has either one, or two input datasets. If there are two datasets, Test Case A is designed to run on Tier-1 sized systems (up to around 1,000 x86 cores, or equivalent) and Test Case B is designed to run on Tier-0 sized systems (up to around 10,000 x86 cores, or equivalent). If there is only one dataset (Test Case A), it is suitable for both sizes of system.
Contacts: Valeriu Codreanu <mailto:valeriu.codreanu@surfsara.nl> or Walter Lioen <mailto:walter.lioen@surfsara.nl>
Contacts: (Ok to mention all BCOs here?, ask PMO for a UEABS contact mailing list address?), Walter Lioen <mailto:walter.lioen@surf.nl>
Current Release
Current Release
---------------
---------------
The current release is Version 2.1 (April 30, 2019).
The current release is Version 2.2 (December 31, 2021).
See also the [release notes and history](RELEASES.md).
See also the [release notes and history](RELEASES.md).
Running the suite
Running the suite
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@@ -21,10 +21,196 @@ Running the suite
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@@ -21,10 +21,196 @@ Running the suite
Instructions to run each test cases of each codes can be found in the subdirectories of this repository.
Instructions to run each test cases of each codes can be found in the subdirectories of this repository.
For more details of the codes and datasets, and sample results, please see the PRACE-5IP benchmarking deliverable D7.5 "Evaluation of Accelerated and Non-accelerated Benchmarks" (April 18, 2019) at http://www.prace-ri.eu/public-deliverables/ .
For more details of the codes and datasets, and sample results, please see the PRACE-6IP benchmarking deliverable D7.5 "Evaluation of Benchmark Performance" (November 30, 2021) at http://www.prace-ri.eu/public-deliverables/ .
The application codes that constitute the UEABS are:
The application codes that constitute the UEABS are:
<li><ahref="https://gitlab.com/bsc-alya/benchmarks/sphere-16M">Test Case A</a></li>
<li><ahref="https://gitlab.com/bsc-alya/benchmarks/sphere-132M">Test Case B</a></li>
</ul>
</td>
<td>600,000</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td></td>
<td></td>
<td></td>
<td>The Alya System is a Computational Mechanics code capable of solving different physics, each one with its own modelization characteristics, in a coupled way. Among the problems it solves are: convection-diffusion reactions, incompressible flows, compressible flows, turbulence, bi-phasic flows and free surface, excitable media, acoustics, thermal flow, quantum mechanics (DFT) and solid mechanics (large strain).</td>
</tr>
<tr>
<td>Code_Saturne</td>
<td>~350,000</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td>The code solves the Navier-Stokes equations for imcompressible/compressible flows using a predictor-corrector technique. The Poisson pressure equation is solved by a Conjugate Gradient preconditioned by a multi-grid algorithm, and the transport equations by Conjugate Gradient-like methods. Advanced gradient reconstruction is also available to account for distorted meshes.</td>
</tr>
<tr>
<td>CP2K</td>
<td>~1,150,000</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td></td>
<td></td>
<td></td>
<td>CP2K is a freely available quantum chemistry and solid-state physics software package for performing atomistic simulations. It can be run with MPI, OpenMP and CUDA. All of CP2K is MPI parallelised, with some routines making use of OpenMP, which can be used to reduce the memory footprint. In addition some linear algebra operations may be offloaded to GPUs using CUDA.</td>
</tr>
<tr>
<td>GADGET</td>
<td></td>
<td></td>
<td></td>
<td></td>
<td></td>
<td></td>
<td></td>
<td></td>
<td></td>
</tr>
<tr>
<td>GPAW</td>
<td>132,000</td>
<td>X</td>
<td></td>
<td>X</td>
<td></td>
<td>X</td>
<td>X</td>
<td></td>
<td></td>
</tr>
<tr>
<td>GROMACS</td>
<td>3,227,337</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td></td>
<td></td>
<td>X</td>
<td>X</td>
<td></td>
</tr>
<tr>
<td>NAMD</td>
<td>1,992,651</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td></td>
<td></td>
<td></td>
<td>X</td>
<td></td>
</tr>
<tr>
<td>NEMO</td>
<td>154,240</td>
<td>X</td>
<td></td>
<td></td>
<td>X</td>
<td></td>
<td></td>
<td>X</td>
<td>NEMO (Nucleus for European Modelling of the Ocean) is a mathematical modelling framework for research activities and prediction services in ocean and climate sciences developed by a European consortium. It is intended to be a tool for studying the ocean and its interaction with the other components of the earth climate system over a large number of space and time scales. It comprises of the core engines namely OPA (ocean dynamics and thermodynamics), SI3 (sea ice dynamics and thermodynamics), TOP (oceanic tracers) and PISCES (biogeochemical process).</td>
</tr>
<tr>
<td>PFARM</td>
<td>21,434</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td>X</td>
<td></td>
<td></td>
<td></td>
<td>PFARM uses an R-matrix ab-initio approach to calculate electron-atom and electron-molecule collisions data for a wide range of applications including atrophysics and nuclear fusion. It is written in modern Fortran/MPI/OpenMP and exploits highly-optimised dense linear algebra numerical library routines.</td>
