Available Program Packages

A) <html> Prof. Kaupp's and Prof. Mroginski's group: </html>

  1. Gaussian 16 (only SMP executables; no Linda parallel)
    Loading module: export MODULEPATH=<html>„</html>/home/units/Fak_II/quantenchemie/gaussian/modules:$MODULEPATH<html>“</html> (Quantenchemie Group) or
    <html> </html> export MODULEPATH=<html>„</html>/home/units/Fak_II/biomodeling/gaussian/modules:$MODULEPATH<html>“</html> (Biomodeling Group)


B) <html> Prof. Kaupp's group: </html>

  1. Turbomole 7.3 (SMP and MPI binaries)
    Loading module: export MODULEPATH=<html>„</html>/home/units/Fak_II/quantenchemie/turbomole/modules:$MODULEPATH<html>“</html>

  2. MRCC (OpenMP binaries; no MPI)
    Loading module: export MODULEPATH=<html>„</html>/home/units/Fak_II/quantenchemie/mrcc/modules:$MODULEPATH<html>“</html>


date of revision: 11-28-2018 © kraus