Changes between Version 9 and Version 10 of WikiStart

Timestamp:

08/15/11 14:31:26 (13 years ago)

Author:

Florian Janetzko

Comment:

--

WikiStart

@@ -43 +43 @@
 Currently only a gnuplot interface is implemented and postscript of xfig files can be generated. An interface for visualization with Python is planned.
 
+== Example: Namd ==
+The following job script was used:
+
+{{{
+#!/bin/bash 
+#MSUB -l nodes=4:ppn=8
+#MSUB -l walltime=00:15:00
+#MSUB -v tpt=1 
+
+module load namd/2.7
+
+mpiexec -np 32 -e PBS_JOBID jumel -a "$NAMD_ROOT/bin/namd2 apoa1.namd"
+
+}}}
+
+
 == SVN Access ==
 {{{