Codes | ENERXICO

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Codes

The following energy industry HPC codes are being used and optimised by ENERXICO:

WRF (Weather Research and Forecasting Model )

DEVELOPER(S)	NCAR (National Center for Atmospheric Research), The National Centers for Environmental Prediction (NCEP), Forecast Systems Laboratory (FSL), Air Force Weather Agency (AFWA), Naval Research Laboratory, Oklahoma University, Federal Aviation Administration (FAA)
LINK	h ttps://github.com/wrf-model/WRF/releases
SHORT DESCRIPTION	WRF is a mesoscale numerical weather prediction system designed for both atmospheric research and operational forecasting applications. It features two dynamical cores, a data assimilation system, and a software architecture supporting parallel computation and system extensibility. The model serves a wide range of meteorological applications across scales from tens of meters to thousands of kilometres
MAIN RESULTS AND REFERENCES	WRF produces simulations based on actual atmospheric conditions (i.e., from observations and analyses) or idealized conditions WRF offers operational forecasting of atmospheric conditions
PERFORMANCE RESULTS	Permadi et al. WRF Performance Analysis and Scalability on Multicore High Performance Computing Systems. https://doi.org/10.1002/9781119720492.ch18

BSIT (Barcelona Subsurface Imaging Tools )

DEVELOPER(S)	Currently at BSC: Mauricio Hanzich, Josep de la Puente, Juan E. Rodríguez and Albert Farrés No longer at BSC: Jean Kormann, Natalia Gutierrez, Miguel Ferrer, Samuel Rodríguez, Claudio Márquez, Vladimir Puzyrev, Raúl de la Cruz, Feliz Rubio and Genís Aguilar
LINK	https://github.com/albertfc/FWI_enerxico
SHORT DESCRIPTION	BSIT is a production geophysical imaging application with the capacity to run on extremely large systems implementing Full Waveform Inversion. FWI is a cutting-edge technique that aims to acquire the physical properties of the subsoil from a set of seismic measurements. Starting from a guess (initial model) of the variables being inverted (e.g., sound transmission velocity), the stimulus introduced and the recorded signals, Full Waveform Inversion performs several phases of iterative computations to reach the real value of the set of variables being inverted with an acceptable error threshold
MAIN RESULTS AND REFERENCES	Main results: HPC modeling of viscoelastic seismic wave propagation in complex topography regions A quasi-automatic full-waveform inversion platform to tackle industrial-scale applications of seismic imaging References: de la Puente, J., Ferrer, M., Hanzich, M., Castillo, J. E., & Cela, J. M. (2014). Mimetic seismic wave modeling including topography on deformed staggered grids. Geophysics, 79(3), T125-T141 Kormann, J., Rodríguez, J. E., Ferrer, M., Farrés, A., Gutiérrez, N., de la Puente, J., ... & Cela, J. M. (2017). Acceleration strategies for elastic full waveform inversion workflows in 2D and 3D. Computational Geosciences, 21(1), 31-45 Hanzich, M., Rodriguez, J., Gutierrez, N., de la Puente, J., & Cela, J. (2014). Using HPC software frameworks for developing BSIT: a geophysical imaging tool. Proceedings of WCCM XI, ECCM V, ECFD VI, 3, 2019-2030
PERFORMANCE RESULTS	HPC evaluations and improvements: Perfomance evaluation of BSIT elastic wave propagation on fully staggered grids using NVIDIA Volta GPUs Improvements of computation times and memory bandwidth of the elastic fully-anisotropic wave propagation kernel of BSIT on Intel Xeon Phi processors

Alya

DEVELOPER(S)	Guillaume Houzeaux, Mariano Vazquez, Jose Maria Cela, Ricard Borrell, Herbert Owen, Oriol Lehmkuhl, Matias Avila
LINK	https://gitlab.bsc.es/alya/alya/-/wikis/home
SHORT DESCRIPTION	Alya is a code developed by the Barcelona Supercomputing Center (BSC). It is a parallel multi-physics CFD code of the PRACE Benchmark Suite for HPC. The numerical discretization is based on a second-order spatial low-dissipation finite element scheme with an explicit temporal third-order Runge-Kutta method for momentum and scalar transport. Alya has been designed to run on leading HPC systems and includes both the MPI and OpenMP models to take advantage of the distributed and the shared memory paradigms. Accelerators like GPUs are also exploited to further enhance the performance of the code
CO-DESIGN	Co-design activities: Coupling of microscale simulations using Alya with WRF outputs of atmospheric simulations
MAIN RESULTS AND REFERENCES	Implementation of Mesoscale to Microscale coupling using RANS and LES turbulence models. Reference: Rodrigo et al. The ALEX17 diurnal cycles in complex terrain benchmark. doi:10.1088/1742-6596/1934/1/012002
PERFORMANCE RESULTS	Mariano Vázquez et al. Alya: Multiphysics engineering simulation toward exascale. JCS 14, 15-27.2016. https://doi.org/10.1016/j.jocs.2015.12.007.

ExaHyPE (An Exascale Hyperbolic PDE Engine)

DEVELOPER(S)	ExaHyPE consortium, see https://exahype.eu/consortium Developers in ENERXICO: Jean-Matthieu Gallard (TUM), Anne Reinarz (Durham University, formerly at TUM). Contact person: Michael Bader
LINK	http://www.exahype.org/
SHORT DESCRIPTION	ExaHyPE is an engine for solving systems of first-order hyperbolic partial differential equations. Due to the robustness and shock capturing abilities of ExaHyPE’s numerical methods, both linear and non-linear hyperbolic PDEs can be simulated with very high accuracy.
CO-DESIGN	Co-design activities: Optimisation of backends for small tensor and matrix operations on various CPU architectures (Intel, AMD, ARM)
MAIN RESULTS AND REFERENCES	Implementation of UQ-based scenarios based on the MIT UQ library. Reference: L. Seelinger, A. Reinarz, L. Rannabauer, M. Bader, P. Bastian, R. Scheichl: High Performance Uncertainty Quantification with Parallelized Multilevel Markov Chain Monte Carlo, Accepted for SC21 Supercomputing Conference.
PERFORMANCE RESULTS	Algorithmic and HPC improvements: Improved vectorization due to algorithmic modification of the ADER-DG scheme and change of memory layout (“Array of Struct of Array”) Analysed energy consumption of optimisations on various CPU architectures Evaluation of mixed precision in ADER-DG’s space-time-predictor kernel

Black Hole code (extension of the DualSPHysics code)

DEVELOPER(S)	Jaime Klapp (ININ, México), Leonardo Di G. Sigalotti (UAM-A, México), Moncho Gómez Gesteira and José Manuel Domínguez Alonso (Universidad de Vigo, Spain)
LINK	https://github.com/DualSPHysics/DualSPHysics/tree/develop
SHORT DESCRIPTION	The Black Hole code is a multiphase extension of the DualSPHysics code, it is the first SPH based code for the numerical simulation of oil reservoirs and which has also important benefits versus commercial codes based on other numerical techniques
MAIN RESULTS AND REFERENCES	The code is able to perform efficient numerical simulations of fractured oil reservoirs and includes a fluid characterization package
PERFORMANCE RESULTS	The esults for 1 GPU and multi-GPU (up to 32 GPUs) shows a high level of parallelization (97%), see: D1.1 Report on efficiency assessment of HPC codes in intra and multi-node D1.2 Report on intra-node and multi-node optimizations for HPC codes D1.3 Report on enabling computational and energy efficient codes for the Exascale

DEVELOPER(S)	Romain Brossier (Univ. Grenoble Alpes), Jian Cao (Univ. Grenoble Alpes), Phuong Thu Trinh (Univ. Grenoble Alpes)
LINK	Contact: romain.brossier@univ-grenoble-alpes.fr
SHORT DESCRIPTION	SEM46 is a seismic full waveform modelling and inversion code developed at Universite Grenoble Alpes. It aims to provide high resolution 3D models of the subsurface physical properties, from active seismic recordings. Such models can then be interpreted as geological formations, rock types, reservoirs and/or fluid content, in order to evaluate resource quantities and monitor production
MAIN RESULTS AND REFERENCES	The code has been extended to fluid-solid coupled media and various types of anisotropy in the solid part (isotropic, VTI, Orthorhombic, Triclinic), for both the modeling and the inversion modes
PERFORMANCE RESULTS	Various optimizations (D1.3) leading to 35% (total gain) improvement on a realistic and large test-case: Improvement of vectorization over multiple elements Reduction of memory bandwidth by exploiting the stiffness properties depending on the anisotropy choice Use of fixed-point coding for some elements of the stiffness table Recombination of global field update routine

DEVELOPER(S)	SeisSol Team, see https://seissol.github.io/team/ In ENERXICO: Sebastian Wolf (TUM). Contact persons: Michael Bader and Alice-Agnes Gabriel
LINK	http://www.seissol.org/
SHORT DESCRIPTION	SeisSol is a software package for earthquake simulation of highly complex scenarios. Characteristics of the SeisSol simulation software are: high-order discontinuous Galerkin discretisation with ADER time stepping (ADER-DG) use of tetrahedral meshes to approximate complex 3D model geometries (faults & topography) and rapid model generation supports elastic, viscoelastic and viscoplastic material to approximate realistic geological subsurface properties
CO-DESIGN	Co-design activities: Optimisation of backends for small tensor and matrix operations on various CPU architectures (Intel, AMD, ARM)
MAIN RESULTS AND REFERENCES	Extension to anisotropic-elastic and poroelastic material properties Novel algorithmic approach for space-time-predictor for poroelastic wave equations (with stiff source term) NUMA analysis and optimisation, in particular for AMD-based supercomputers Evaluation of energy consumption on various CPU architectures References: S. Wolf, A.-A. Gabriel, M. Bader: Optimization and Local Time Stepping of an ADER-DG Scheme for Fully Anisotropic Wave Propagation in Complex Geometries. Computational Science - ICCS 2020 (LNCS 12139), Springer, 2020, p. 32-45.