Available Program Packages
A) <html> Prof. Kaupp's and Prof. Mroginski's group: </html>
- 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>
- Turbomole 7.3 (SMP and MPI binaries)
Loading module:export MODULEPATH=
<html>„</html>/home/units/Fak_II/quantenchemie/turbomole/modules:$MODULEPATH
<html>“</html>
- MRCC (OpenMP binaries; no MPI)
Loading module:export MODULEPATH=
<html>„</html>/home/units/Fak_II/quantenchemie/mrcc/modules:$MODULEPATH
<html>“</html>
date of revision: 11-28-2018 © kraus