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HIFIS Software Spotlights

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1-12 of 13

CP2K

CP2K is a quantum chemistry and solid state physics software package running on graphics processing units and thousands of processing units. It is open-source and allows simulations, spectroscopy, vibrational analysis and energy minimization on a vast variety of theory levels.

electronic structure
GPU
High performance computing
+ 5

Fortran
C
Python
+ 13

2523

ChASE

ChASE is a modern and scalable library to solve dense Hermitian (Symmetric) algebraic eigenvalue problems based on a spectral polynomial filter. The library is fully parallelized, and is particularly effective for sequences of eigenproblems as they often arise in electronic structure theory.

C++
Eigensolver
GPU
+ 6

C++
Cuda
CMake
+ 3

Elephant

Elephant (Electrophysiology Analysis Toolkit) is an open-source, community centered library for the analysis of electrophysiological data in the Python programming language.

data-analysis
electrophysiology
neurophysiology
+ 2

Python
C++
Cuda
+ 1

CosmoScout VR

CosmoScout VR is an open source virtual Solar System, primarily aimed at interactive visualization of huge remote sensing products in conjunction with large-scale simulation data.

Aeronautics, Space and Transport
Data Visualization
solar system
+ 1

C++
GLSL
JavaScript
+ 7

DL4PuDe

DL4PuDe is an AI-based framework that automatically detects pushing behavior in crowd videos, leading to a better understanding of pushing dynamics. This knowledge is crucial for better crowd management strategies and better design of public places, making public places more comfortable and safer.

Artificial Intelligence
Crowd Management
Deep Learning
+ 3

Jupyter Notebook
Python
Cuda
+ 2

ELECTRODE

ELECTRODE extends the atomistic simulation tool LAMMPS to model different types of electrochemical situations. Simulations are performed at constant potential or constant charge using different approaches to control potential or charge at the electrodes.

Constant Potential Method
Electrochemistry
Molecular Dynamics

C++
Tcl
Cuda
+ 24

mallocMC

This project provides a framework for fast memory managers on many core accelerators. It is based on alpaka to run on many different accelerators and implements the ScatterAlloc algorithm.

CUDA
heterogeneous computing
High performance computing
+ 2

C++
CMake
Cuda
+ 1

Arbor

Arbor is a high-performance library for computational neuroscience simulations with multi-compartment, morphologically-detailed cells, from single cell models to very large networks. Arbor is written from the ground up to help neuroscientists effectively use contemporary and future HPC systems.

GPU
High performance computing
Neural network
+ 4

C++
AGS Script
Python
+ 7

cupla

cupla is a simple user interface for the platform-independent parallel kernel acceleration library alpaka. It follows a similar concept as the NVIDIA® CUDA® API by providing a software layer to manage accelerator devices. alpaka is used as a backend for cupla.

C++
heterogeneous computing
High performance computing
+ 3

C++
CMake
Shell
+ 5

easyWave

easyWave-GPU computes tsunami wave propagations in a fraction of minute on GPU-powered machines. Thus , a single simulation, or several simulations with varying granularity, covering several hours of tsunami wave propagation, and tailored to the actual situation can be computed within seconds.

early warning
Earth & Environment
tsunami forecasting

C++
Cuda
Python
+ 2

Ginkgo

Ginkgo is a high-performance math library for the solution of sparse linear systems on GPUs (AMD, Intel, NVIDIA). Ginkgo is implemented using modern C++ and provides preconditioned Krylov solvers, multigrid, sparse direct solvers, mixed precision, and batched functionality.

GPU
High performance computing
Large linear equation system
+ 4

C++
CMake
Cuda
+ 4

spirit

Spirit is a platform-independent framework for atomistic spin-dynamics. It combines the traditional cluster workflow through a C-API with python bindings with modern visualisation capabilities in order to maximise scientists' productivity.

Atomistic Spin Dynamics
C++
CUDA
+ 5

C++
Python
CMake
+ 9