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Knowledge Base für wissenschaftliches Rechnen (HPC)
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Knowledge Base für wissenschaftliches Rechnen (HPC) Startseite
Linux Compute Cluster Augsburg
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HPC Software and Libraries
Created by
Andreas Fischer
, last updated by
Mikheil Sekania
on
03. April 2024
1 minute read
Compilers and Libraries
AMD AOCC incl. AOCL
AOCC Clang/Clang++
AOCC Flang
Clang and Flang Options
High Performance Math Libraries
BLIS
libFLAME
FFTW
LibM
AOCL-Spase
GNU Compiler Collection
Intel Compilers via OneAPI incl. MKL
MPI Libraries
Nvidia CUDA Toolkit
Nvidia HPC-SDK
Container with Apptainer
Interpreters
Julia and Julia package management
Python and conda package management
R and CRAN package management
Common Software
Blender
Scientific Software Packages
COMSOL
CP2K
CRYSTAL
DFTB+
ELK
GAUSSIAN
GROMACS
LAMMPS
NWChem
ORCA
PLUMED
Quantum ESPRESSO
SIMPSON
TURBOMOLE
VASP
XTB
Q-Chem
Misc Tools
slurm-helper convenience scripts
scientific-software
tools
software
scientific-packages
hpc
compiler
interpreters
libraries
Overview
Content Tools
Tasks
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