JUSTUS2/Software
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Environment Modules
Most software is provided as Modules.
Required reading to use: Environment Modules
Available Software
- Web: Visit https://www.bwhpc.de/software.php, select
Cluster → bwForCluster JUSTUS2
- On the cluster:
module avail(→module avail)
- Software in Containers: Instructions for loading software in containers: Singularity
- Instructions for using Python on JUSTUS2
Documentation
Main Documentation on The Cluster
Documentation for environment modules available on the cluster (shown for a chemistry software called "softname"):
- with command
module help chem/softname(→module help) - examples in
$SOFTNAME_EXA_DIR(→job examples)
CAE
- comsol
- openfoam
chem
- abinit
- adf
- ams
- cefine
- censo
- cfour
- cp2k
- crest
- dalton
- dftbplus
- dftd4
- exciting
- fleur
- gamess
- gaussian
- gaussview
- gpaw
- gromacs
- jmol
- kimapi
- lammps
- molden
- molpro
- namd
- nbo
- nw7.3.1
- ocean
- openbabel
- openmolcas
- orca
- plumed
- quantum_espresso
- rasmol
- schrodinger
- siesta
- tmolex
- turbomole
- vasp
- vesta
- vmd
- xtb
- yambo
Sometimes Additional Documentation in the Wiki
For some environment modules additional documentation is provided here.