JUSTUS2/Software

1 Environment Modules

Most software is provided as Modules.

Required reading to use: Environment Modules

2 Available Software

• Web: Visit https://www.bwhpc.de/software.php, select Cluster → bwForCluster JUSTUS2

• On the cluster: module avail

• Software in Containers :Instructions for loading software in containers: Singularity

3 Documentation

Documentation for environment modules available on the cluster:

• with command module help
• examples in $SOFTNAME_EXA_DIR

4 Documentation in the Wiki

For some environment modules additional documentation is provided here.

• ADF

• Dalton

• Gaussian

• Gaussview

• Molden

• NAMD

• SIESTA

• Schrodinger

• Turbomole

• VASP