Unterschiede

Hier werden die Unterschiede zwischen zwei Versionen angezeigt.

--- hpc:hpc_tubit:module_package [2018/11/21 19:31] – kraus
+++ hpc:hpc_tubit:module_package [2018/11/29 00:23] (aktuell) – kraus
@@ Zeile 1: / Zeile 1: @@
+====== Available Program Packages ======
+A) <html> <span style="background-color:lightblue;"> Prof. Kaupp's and Prof. Mroginski's group: </span> </html>
+  - **Gaussian 16** (only SMP executables; no Linda parallel) \\ //Loading module//: ''export MODULEPATH=''<html>"</html>''/home/units/Fak_II/quantenchemie/gaussian/modules:$MODULEPATH''<html>"</html> (Quantenchemie Group) or\\ <html> <span style="white-space:pre;">                        </span> </html> ''export MODULEPATH=''<html>"</html>''/home/units/Fak_II/biomodeling/gaussian/modules:$MODULEPATH''<html>"</html>  (Biomodeling Group)
+\\
+B) <html> <span style="background-color:lightgreen;"> Prof. Kaupp's group: </span> </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>
+\\
+<WRAP rightalign>
+date of revision: 11-28-2018 © kraus
+</WRAP>