JUSTUS2/Software

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

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

Documentation

Main Documentation on The Cluster

Documentation for environment modules available on the cluster (example for a chemistry software called softname):

• with command module help chem/softname
• examples in $SOFTNAME_EXA_DIR

Sometimes Additional Documentation in the Wiki

For some environment modules additional documentation is provided here.

• ADF

• Dalton

• Gaussian

• Gaussview

• Molden

• NAMD

• Orca

• Quantum ESPRESSO

• SIESTA

• Schrodinger

• Turbomole

• VASP