1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42
#Unified European Applications Benchmark Suite, version 1.0 The Unified European Application Benchmark Suite (UEABS) is a set of 12 application codes taken from the pre-existing PRACE and DEISA application benchmark suites to form a single suite, with the objective of providing a set of scalable, currently relevant and publically available codes and datasets, of a size which can realistically be run on large systems, and maintained into the future. This work has been undertaken by Task 7.4 "Unified European Applications Benchmark Suite for Tier-0 and Tier-1" in the PRACE Second Implementation Phase (PRACE-2IP) project and will be updated and maintained by subsequent PRACE Implementation Phase projects. For more details of the codes and datasets, and sample results, please see http://www.prace-ri.eu/IMG/pdf/d7.4_3ip.pdf The codes composing the UEABS are: [ALYA](#alya) [Code_Saturne](#saturne) [CP2K](#cp2k) [GADGET](#gadget) [GENE](#gene) [GPAW](#gpaw) [GROMACS](#gromacs) [NAMD](#namd) [NEMO](#nemo) [NEMO](#qcd) [Quantum Espresso](#espresso) [SPECFEM3D](#specfem3d) # ALYA <a name="alya"></a> 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). ALYA is written in Fortran 90/95 and parallelized using MPI and OpenMP. - Web site: https://www.bsc.es/computer-applications/alya-system - Code download: http://www.prace-ri.eu/UEABS/ALYA/1.1/alya3226.tar.gz - Build instructions: https://repository.prace-ri.eu/git/UEABS/ueabs/blob/v1.0/alya/ALYA_Build_README.txt - Test Case A: http://www.prace-ri.eu/UEABS/ALYA/ALYA_TestCaseA.tar.gz - Test Case B: http://www.prace-ri.eu/UEABS/ALYA/ALYA_TestCaseB.tar.gz - Run instructions: https://repository.prace-ri.eu/git/UEABS/ueabs/blob/v1.0/alya/ALYA_Run_README.txt # Code_Saturne <a name="saturne"></a> Code_Saturne® is a multipurpose Computational Fluid Dynamics (CFD) software package, which has been developed by EDF (France) since 1997. The code was originally designed for industrial applications and research activities in several fields related to energy production; typical examples include nuclear power thermal-hydraulics, gas and coal combustion, turbo-machinery, heating, ventilation, and air conditioning. In 2007, EDF released the code as open-source and this provides both industry and academia to benefit from its extensive pedigree. Code_Saturne®’s open-source status allows for answers to specific needs that cannot easily be made available in commercial “black box” packages. It also makes it possible for industrial users and for their subcontractors to develop and maintain their own independent expertise and to fully control the software they use. Code_Saturne® is based on a co-located finite volume approach that can handle three-dimensional meshes built with any type of cell (tetrahedral, hexahedral, prismatic, pyramidal, polyhedral) and with any type of grid structure (unstructured, block structured, hybrid). The code is able to simulate either incompressible or compressible flows, with or without heat transfer, and has a variety of models to account for turbulence. Dedicated modules are available for specific physics such as radiative heat transfer, combustion (e.g. with gas, coal and heavy fuel oil), magneto-hydro dynamics, and compressible flows, two-phase flows. The software comprises of around 350 000 lines of source code, withabout 37% written in Fortran90, 50% in C and 15% in Python. Thecode is parallelised using MPI with some OpenMP.