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Archimedes/Rappture
https://www.gnu.org/software/archimedes
https://nanohub.org/infrastructure/rappture
Archimedes belongs to the well-known family of TCAD software, i.e. tools utilized to assist the development of technologically relevant products. In particular, this package assists engineers in designing and simulating submicron and mesoscopic semiconductor devices.
Rappture is the GUI for Archimedes.


Code Block
languagebash
module load rappture


DevSim
https://devsim.org/

DEVSIM is semiconductor device simulation software which uses the finite volume method. It solves partial differential equations on a mesh. The Python interface allows users to specify their own equations.


Code Block
languagebash
bash
module load devsim
source /usr/local/intel/mkl/bin/mklvars.sh intel64


ElmerGNU7/OpenMPIhttps://www.csc.fi/web/elmer/elmer

Elmer is an open source multiphysical simulation software mainly developed by CSC - IT Center for Science (CSC). Elmer development was started 1995 in collaboration with Finnish Universities, research institutes and industry. After it's open source publication in 2005, the use and development of Elmer has become international.

Elmer includes physical models of fluid dynamics, structural mechanics, electromagnetics, heat transfer and acoustics, for example. These are described by partial differential equations which Elmer solves by the Finite Element Method (FEM).


Code Block
languagebash
module load elmer


HOOME-blueSingularity

http://glotzerlab.engin.umich.edu/hoomd-blue/index.html

https://glotzerlab-software.readthedocs.io/en/latest/software.html

https://glotzerlab-software.readthedocs.io/en/latest/

HOOMD-blue is a general-purpose particle simulation toolkit. It scales from a single CPU to thousands.


Code Block
languagebash
module load singularity
# Use this package for non-mpi jobs
singularity exec /usr/local/glotzerlab/glotzerlab-software-master-latest.simg [command-in-glotzerlab-package]
# Use this package for MPI jobs
singularity exec /usr/local/glotzerlab/glotzerlab-software-mpi-flux.simg [command-in-glotzerlab-package]


OpenFOAM v6 and v8
https://openfoam.comA Computational Fluid Dynamics (CFD) package. OpenFOAM has an extensive range of features to solve anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics and electromagnetics.


Code Block
languagebash
bash
source /usr/local/openFOAM/OpenFOAM-6/etc/bashrc # for version 6
source /usr/local/openFOAM/OpenFOAM-8/etc/bashrc # for version 8
mkdir -p $FOAM_FUNRUN
run



Linear Algebra Operations

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