Unterschiede

Hier werden die Unterschiede zwischen zwei Versionen angezeigt.

--- hpc:numericserveruser:schrodinger [2018/08/24 16:16] – ↷ Seite von numericserveruser:schrodinger nach hpc:numericserveruser:schrodinger verschoben kraus
+++ hpc:numericserveruser:schrodinger [2020/02/18 15:20] (aktuell) – gelöscht kraus
@@ Zeile 1: / Zeile 1: @@
-====== Schrödinger Software ======
-The most easy way of using schrodinger software (e.g. jaguar, macromodel ...) is the graphical frontend maestro. See the documentation for [[numericserveruser:maetrowindows|installation instructions]].
-If you want to start the application directly on the numericserver you have to add the module schrodinger and the select a given [[numericserveruser:queues|queue]] as host. With jaguar this would be
-<code>
-module add schrodinger
-$SCHRODINGER/jaguar run -HOST <QueueName>  jobinput.in
-</code>
-The available queues are defined in the ''schrodinger.hosts'' file under ''/afs/math/software/schrodinger/2010/''.
-**Update October 2011:**
-Schrodinger Suite 2011.1 has been installed. The module name for this release is
-<code>
-module add schrodinger2011.1
-</code>
-General usage an host file is the same as in the 2010 release.