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* [[Scripting in AWK]]
* [[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
* [http://aliga.iciq.es/wiki/documents/making-backups.pdf Making Cluster Data Backups - scripting]
* [http://aliga.iciq.es/wiki/documents/UBUNTU_BACKUPS.pdf Making Cluster Data Backups - Ubuntu GUI]
OPTION-1 Connecting your cluster 'home' folder from a remote computer
* [http://aliga.iciq.es/wiki/documents/Mounting_ICIQ_Folder_in_Remote_Computer.pdf Directly Connect Your 'home' Folder from Remote Machine]


== Useful scripts ==
OPTION-2 Connecting a remote folder locally
 
* [http://aliga.iciq.es/wiki/documents/HOWTO_MOUNT_REMOTE_FOLDER.pdf Directly Connect Your 'home' Folder from Remote Machine]
 
With a simple command, ''e.g.'' <code>kimh</code>, you can jump from your local "kimikhome" or "teklahome" subdirectory to the equivalent subdirectory in kimik2 or tekla2. Just copy the following <code>alias</code> into your <code>.bashrc</code> file (which can be found in your home directory):
 
<code>alias kimh='nowdir=`pwd` ; nowdirk=${nowdir/kimikhome\//} ; ssh -t [username]@[kimik2\tekla2].iciq.es "cd $nowdirk ; bash"'</code>


Here you can add your preferred scripts
== Others ==


* [[Useful scripts]] for VASP
If your program/script does not fit in the above categories, upload it here.


* AWK script to get the [[energies]] of a Gaussian output.
* [[General programs]]

Latest revision as of 11:34, 24 October 2019

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Programming languages[edit]

Useful scripts[edit]

Linux OS scripts[edit]

Operating System management scripts

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

OPTION-2 Connecting a remote folder locally

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[edit]

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