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HIFIS Software Spotlights

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1-12 of 15

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

2519

OpenGeoSys

OpenGeoSys (OGS) is a scientific open source project for the development of numerical methods for the simulation of thermo-hydro-mechanical-chemical (THMC) processes in porous and fractured media.

Earth & Environment
geotechnics
geothermal modeling
+ 5

C++
AGS Script
Roff
+ 2

720

Score-P

Score-P provides insight into massively parallel HPC applications, their communication, synchronization, I/O, and scaling behaviour to pinpoint performance bottlenecks and their causes.

hpc
Information
instrumentation
+ 5

C
Fortran Free Form
C++
+ 2

490

Scalasca

The Scalasca Trace Tools support performance optimization of parallel programs with a collection of highly scalable trace-based tools for in-depth analyses of concurrent behavior, in particular with respect to communication and synchronization, and offers guidance in exploring their causes.

hpc
Information
Performance Analysis
+ 3

107

PEPC

The PEPC project (Pretty Efficient Parallel Coulomb Solver) is a public tree code that has been developed at Jülich Supercomputing Centre since the early 2000s. Our code is a non-recursive version of the Barnes-Hut algorithm, using a level-by-level approach to both tree construction and traversals.

Barnes-Hut
High performance computing
hpc
+ 2

Fortran Free Form
C
Shell
+ 2

alpaka

The alpaka library is a header-only C++17 abstraction framework designed for computing accelerator development. It enables developers to implement algorithms once and execute them across a range of platforms, including x86, ARM, and RISC-V CPUs, as well as accelerators from NVIDIA, AMD, and Intel.

C++
CPU
CUDA
+ 7

C++
CMake
Shell
+ 1

ISAAC

In Situ Animation of Accelerated Computations

C++
CUDA
Data Visualization
+ 4

C++
HTML
JavaScript
+ 3

JUBE

JUBE is a generic, lightweight, configurable environment to run, monitor and analyse application execution in a systematic way. This software is commonly used to execute benchmarks and complex workflows on High Performance Computers, but is not limited to these systems.

Benchmark
Benchmarking
High performance computing
+ 5

Python
Shell
C

MESSy

MESSy is a software framework for the assembly of Earth System Models with components, which are numerical representations of processes in the Earth system. The unique feature of MESSy is its modular structure that facilitates continuous development and flexible model configurations.

Aeronautics, Space and Transport
Atmospheric science
Earth & Environment
+ 5

Alise

The Account LInking SErvice (ALISE) is a tool to link accounts at a service. The goal is to enable federated services at sites that do not yet support federated identities.

AAI
Helmholtz AAI
hpc
+ 3

Python
HTML
Makefile

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

FLEUR

FLEUR is a feature-full, freely available FLAPW (full-potential linearized augmented-plane-wave) code, based on density-functional theory. This highly precise all-electron approach is universally applicable to all atoms of the periodic table and to systems with compact as well as open structures.

DFT
High performance computing
hpc
+ 3

Fortran Free Form
C
Motorola 68K Assembly
+ 2