Scripts

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Programming languages

• Scripting in AWK

• Scripting in Perl

Useful scripts

• Scripts for VASP

• Scripts for Gaussian

• Scripts for NWChem

• Scripts for Mathematica 8

Linux OS scripts

Operating System management scripts

• Making Cluster Data Backups - scripting
• Making Cluster Data Backups - Ubuntu GUI

OPTION-1 Connecting your cluster 'home' folder from a remote computer

• Directly Connect Your 'home' Folder from Remote Machine

OPTION-2 Connecting a remote folder locally

• Directly Connect Your 'home' Folder from Remote Machine

With a simple command, e.g. kimh, you can jump from your local "kimikhome" or "teklahome" subdirectory to the equivalent subdirectory in kimik2 or tekla2. Just copy the following alias into your .bashrc file (which can be found in your home directory):

alias kimh='nowdir=`pwd` ; nowdirk=${nowdir/kimikhome\//} ; ssh -t [username]@[kimik2\tekla2].iciq.es "cd $nowdirk ; bash"'

Others

If your program/script does not fit in the above categories, upload it here.

• General programs