====== Available Program Packages ====== A) Prof. Kaupp's and Prof. Mroginski's group: - **Gaussian 16** (only SMP executables; no Linda parallel) \\ //Loading module//: ''export MODULEPATH=''"''/home/units/Fak_II/quantenchemie/gaussian/modules:$MODULEPATH''" (Quantenchemie Group) or\\ ''export MODULEPATH=''"''/home/units/Fak_II/biomodeling/gaussian/modules:$MODULEPATH''" (Biomodeling Group) \\ B) Prof. Kaupp's group: - **Turbomole 7.3** (SMP and MPI binaries) \\ //Loading module//: ''export MODULEPATH=''"''/home/units/Fak_II/quantenchemie/turbomole/modules:$MODULEPATH''" \\ \\ - **MRCC** (OpenMP binaries; no MPI) \\ //Loading module//: ''export MODULEPATH=''"''/home/units/Fak_II/quantenchemie/mrcc/modules:$MODULEPATH''" \\ date of revision: 11-28-2018 © kraus