Software skeleton-page - Revision history

S Richling at 11:10, 25 August 2022

2022-08-25T11:10:38Z

← Older revision		Revision as of 13:10, 25 August 2022
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	\| [[bwUniCluster]] \| [[BwForCluster_Chemistry]]		\| [[bwUniCluster]] \| [[BwForCluster_Chemistry]]
	<!-- Verfuegbare Cluster (soweit bekannt):		<!-- Verfuegbare Cluster (soweit bekannt):
	[[bwUniCluster]] [[bwForCluster ENM~~]], [[bwForCluster MLS&WISO~~]], [[BwForCluster_Chemistry]], [[bwForCluster BinAC]] -->		[[bwUniCluster]] [[bwForCluster ENM]], [[BwForCluster_Chemistry]], [[bwForCluster BinAC]] -->
	\|-		\|-
	\| License		\| License
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	remove comment to put page in category		remove comment to put page in category
	----		----
	[[Category:XYZ software]][[Category:bwUniCluster~~]][[bwForCluster MLS&WISO~~]]		[[Category:XYZ software]][[Category:bwUniCluster]]
	-->		-->

S Richling at 11:07, 25 August 2022

2022-08-25T11:07:46Z

← Older revision		Revision as of 13:07, 25 August 2022
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	\|-		\|-
	\| Availability		\| Availability
	\| [[bwUniCluster]] \| [[BwForCluster_Chemistry]] ~~\|]~~		\| [[bwUniCluster]] \| [[BwForCluster_Chemistry]]
	<!-- Verfuegbare Cluster (soweit bekannt):		<!-- Verfuegbare Cluster (soweit bekannt):
	[[bwUniCluster]] [[bwForCluster ENM]], [[bwForCluster MLS&WISO]], [[BwForCluster_Chemistry]], [[bwForCluster BinAC]] -->		[[bwUniCluster]] [[bwForCluster ENM]], [[bwForCluster MLS&WISO]], [[BwForCluster_Chemistry]], [[bwForCluster BinAC]] -->

S Richling at 11:07, 25 August 2022

2022-08-25T11:07:31Z

← Older revision		Revision as of 13:07, 25 August 2022
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	\|-		\|-
	\| Availability		\| Availability
	\| [[bwUniCluster]] \| [[BwForCluster_Chemistry]] \| ~~[[bwForCluster MLS&WISO]~~]		\| [[bwUniCluster]] \| [[BwForCluster_Chemistry]] \|]
	<!-- Verfuegbare Cluster (soweit bekannt):		<!-- Verfuegbare Cluster (soweit bekannt):
	[[bwUniCluster]] [[bwForCluster ENM]], [[bwForCluster MLS&WISO]], [[BwForCluster_Chemistry]], [[bwForCluster BinAC]] -->		[[bwUniCluster]] [[bwForCluster ENM]], [[bwForCluster MLS&WISO]], [[BwForCluster_Chemistry]], [[bwForCluster BinAC]] -->

R Rutka at 08:12, 3 March 2016

2016-03-03T08:12:58Z

← Older revision		Revision as of 10:12, 3 March 2016
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	\|-		\|-
	\| Availability		\| Availability
	\| [[bwUniCluster]] \| [[BwForCluster_Chemistry]]		\| [[bwUniCluster]] \| [[BwForCluster_Chemistry]] \| [[bwForCluster MLS&WISO]]
	<!-- Verfuegbare Cluster (soweit bekannt):		<!-- Verfuegbare Cluster (soweit bekannt):
	[[bwUniCluster]] [[bwForCluster ENM]], [[bwForCluster MLS/WISO]], [[BwForCluster_Chemistry]], [[bwForCluster BinAC]] -->		[[bwUniCluster]] [[bwForCluster ENM]], [[bwForCluster MLS&WISO]], [[BwForCluster_Chemistry]], [[bwForCluster BinAC]] -->
	\|-		\|-
	\| License		\| License
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	\| Citing		\| Citing
	\| <small><small><pre>Citing-informations here</pre></small></small>		\| <small><small><pre>Citing-informations here</pre></small></small>
	~~oder~~ [link to citing-information or citing-description]		or [link to citing-information or citing-description]
	\|-		\|-
	\| Links		\| Links
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	mention if there is more than one software in the module, i.e. icc, ifort and debugger -->		mention if there is more than one software in the module, i.e. icc, ifort and debugger -->
	\|-		\|-
	\| Updates~~...~~		\| <font color=red>Updates/News</font>
	\| Any other infos...		\| Any other infos.... What's new!
	\|}		\|}

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	\|url=https://cis-hpc.uni-konstanz.de/prod.cis/bwUniCluster/chem/gromacs <!-- modify here -->		\|url=https://cis-hpc.uni-konstanz.de/prod.cis/bwUniCluster/chem/gromacs <!-- modify here -->
	\|width=90%		\|width=90%
	\|height=~~320~~		\|height=420
	\|border=0		\|border=0
	}}		}}
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	<br>		<br>
	<pre>		<pre>
	: ~~EXAMPLE~~ ONLY !!!		: EXAMPLES ONLY !!!
	$ module avail chem/orca		$ module avail chem/orca
	------------------------------ /opt/bwhpc/common/modulefiles ---------------------------------------		------------------------------ /opt/bwhpc/common/modulefiles ---------------------------------------
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	remove comment to put page in category		remove comment to put page in category
	----		----
	[[Category:XYZ software]][[Category:bwUniCluster]]		[[Category:XYZ software]][[Category:bwUniCluster]][[bwForCluster MLS&WISO]]
	-->		-->

R Rutka: /* Program Binaries */

2015-12-16T13:52:08Z

Program Binaries

← Older revision		Revision as of 15:52, 16 December 2015
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	Show the location and contents of the installed binaries in the main folder of the software		Show the location and contents of the installed binaries in the main folder of the software
	and show some informations, too.		and show some informations, too.
	e.g.: After loading the SOFTWARENAME module (''module load category/softwarename/'version''') this path is also set to the local $PATH- and [[#~~PATH~~-~~TO-ENVIRONMENTS-SECTION~~\|$SOFTWARENAME_BIN_DIR]] environments.		e.g.: After loading the SOFTWARENAME module (''module load category/softwarename/'version''') this path is also set to the local $PATH- and [[#Software-Specific Environments\|$SOFTWARENAME_BIN_DIR]] environments.
	<pre>		<pre>
	$ ls -F (or ls -x) $SOFTWARE_BIN_DIR		$ ls -F (or ls -x) $SOFTWARE_BIN_DIR
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	<br>		<br>
	<br>		<br>

	== Disk Usage / Workspaces ==		== Disk Usage / Workspaces ==
	Scratch files are written to the current directory by default.		Scratch files are written to the current directory by default.

R Rutka: /* Moab Submit Examples */

2015-12-16T13:51:08Z

Moab Submit Examples

← Older revision		Revision as of 15:51, 16 December 2015
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	You can copy a simple interactive example to your '''workspace''' and run it, using 'msub'		You can copy a simple interactive example to your '''workspace''' and run it, using 'msub'
	<br>		<br>
	Strictly use the ~~<font~~ ~~color=red>~~$SOFTWARENAME_EXA_DIR~~</font>~~ environment-variable!		Strictly use the [[#Software-Specific Environments\|$SOFTWARENAME_EXA_DIR]] environment-variable!
	<br>		<br>
	<pre>		<pre>
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	</pre>		</pre>
	<br>		<br>

	= Software-Specific Environments =		= Software-Specific Environments =
	To see a list of all SOFTWARENAME environments set by the 'module load'-command use 'env \| grep SOFTWARENAME'<br>		To see a list of all SOFTWARENAME environments set by the 'module load'-command use 'env \| grep SOFTWARENAME'<br>

R Rutka: /* Software-Specific Environments */

2015-12-16T13:50:14Z

Software-Specific Environments

← Older revision		Revision as of 15:50, 16 December 2015
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	ORCA_BIN_DIR=/opt/bwhpc/common/chem/orca/3.0.3		ORCA_BIN_DIR=/opt/bwhpc/common/chem/orca/3.0.3
	ORCA_HOME=/opt/bwhpc/common/chem/orca/3.0.3		ORCA_HOME=/opt/bwhpc/common/chem/orca/3.0.3
	$
	</pre>		</pre>
	<br>		<br>

	= Version-Specific Information =		= Version-Specific Information =
	For a more detailed information specific to a specific SOFTWARENAME version, see the information available via the module system with the command		For a more detailed information specific to a specific SOFTWARENAME version, see the information available via the module system with the command

R Rutka at 13:49, 16 December 2015

2015-12-16T13:49:34Z

← Older revision		Revision as of 15:49, 16 December 2015
Line 1:		Line 1:
	<!--		<!--
	Minimum-Breite sollte nicht unter 600px sein. Sind die Zeilen breiter, dann die		Minimum-Breite sollte nicht unter 600px sein. Sind die Zeilen breiter, dann die
	'width=600px'-Zeile loeschen oder anpassen.		'width=600px'-Zeile loeschen oder anpassen (also vergroessern).
	class="wikitable" unbedingt so lassen!		class="wikitable" unbedingt so lassen!

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	\| = Pipe-Zeichen		\| = Pipe-Zeichen

			Interne Verlinkungen benutzen. Syntax: [[#Ueberschrift\|Link-Text]]

	-->		-->
	{\| width=600px class="wikitable"		{\| width=600px class="wikitable"
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	\| Availability		\| Availability
	\| [[bwUniCluster]] \| [[BwForCluster_Chemistry]]		\| [[bwUniCluster]] \| [[BwForCluster_Chemistry]]
			<!-- Verfuegbare Cluster (soweit bekannt):
	~~<!-- List of all available Systems (so far):~~ [[bwUniCluster]] [[bwForCluster ENM]], [[bwForCluster MLS/WISO]], [[BwForCluster_Chemistry]], [[bwForCluster BinAC]] -->		[[bwUniCluster]] [[bwForCluster ENM]], [[bwForCluster MLS/WISO]], [[BwForCluster_Chemistry]], [[bwForCluster BinAC]] -->
	\|-		\|-
	\| License		\| License
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	\|-		\|-
	\| Links		\| Links
	\| [https://some.homepage.edu SW-Homepage] \| [https://some.otherpage.TLD some other pages]		\| [https://some.homepage.edu SW-Homepage] \| [https://some.otherpage.TLD some other pages] \| [https://some.homepage.edu SW-Documentation]
	\|-		\|-
	\| Graphical Interface		\| Graphical Interface
	\| No \| Yes <!-- ~~Yes~~ ~~could~~ ~~link~~ to ~~some~~ ~~x11~~-~~forwarding/vnc~~ ~~instructions~~ -->		\| No \| Yes <!-- Links zur Hardcopy, Beschreibung (X-forwardung, ssh -X ... -->
	\|-		\|-
	\| Included in module		\| Included in module
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	<!-- e.g.: mpi/openmpi/1.6.5-gnu-4.8		<!-- e.g.: mpi/openmpi/1.6.5-gnu-4.8
	mention if there is more than one software in the module, i.e. icc, ifort and debugger -->		mention if there is more than one software in the module, i.e. icc, ifort and debugger -->
			\|-
			\| Updates...
			\| Any other infos...
	\|}		\|}

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	'''Softwarename''' is used for worbeling the worbels. It makes use of advanced flubberdiflaps .		'''Softwarename''' is used for worbeling the worbels. It makes use of advanced flubberdiflaps .
	<br>		<br>

	This paragraph should give a short description of what the software does and should enable potential new users to decide if this is the software that might help them with their project.		This paragraph should give a short description of what the software does and should enable potential new users to decide if this is the software that might help them with their project.
	<br>		<br>
	<br>		<br>

	= Versions and Availability =		= Versions and Availability =
	A list of versions currently available on all bwHPC-C5-Clusters can be obtained from the		A list of versions currently available on all bwHPC-C5-Clusters can be obtained from the
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	</pre>		</pre>
	<br>		<br>

	= License =		= License =
	Anything specific to the licensing model goes here. If the Program is GPL or one of the over very common free software licenses, you can probably remove this section. Things that should be mentioned here (if they apply)		Anything specific to the licensing model goes here. If the Program is GPL or one of the over very common free software licenses, you can probably remove this section. Things that should be mentioned here (if they apply)
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	<br>		<br>
	<br>		<br>

	= Usage =		= Usage =
	== Loading the module ==		== Loading the module ==
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	</pre>		</pre>
	<br>		<br>

	== Program Binaries ==		== Program Binaries ==
	Show the location and contents of the installed binaries in the main folder of the software		Show the location and contents of the installed binaries in the main folder of the software
	and show some informations, too.		and show some informations, too.
	e.g.: After loading the SOFTWARENAME module (''module load category/softwarename/'version''') this path is also set to the local $PATH- and $SOFTWARENAME_BIN_DIR environments.		e.g.: After loading the SOFTWARENAME module (''module load category/softwarename/'version''') this path is also set to the local $PATH- and [[#PATH-TO-ENVIRONMENTS-SECTION\|$SOFTWARENAME_BIN_DIR]] environments.

	<pre>		<pre>
	$ls -F (or ls -x) $SOFTWARE_BIN_DIR		$ ls -F (or ls -x) $SOFTWARE_BIN_DIR
	... list of content of software-bin-dir ...		... list of content of software-bin-dir ...
	$		$
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	<br>		<br>
	<br>		<br>

	== Disk Usage / Workspaces ==		== Disk Usage / Workspaces ==
	Scratch files are written to the current directory by default.		Scratch files are written to the current directory by default.
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	<br>		<br>
	'calc_repo' is an example name of a repository you created by using the command 'ws_allocate'.		'calc_repo' is an example name of a repository you created by using the command 'ws_allocate'.
			<br>

	<pre>		<pre>
	$ cd $(ws_find calc_repo)		$ cd $(ws_find calc_repo)
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	['your-id'-calc_repo-0]$		['your-id'-calc_repo-0]$
	</pre>		</pre>
			<br>

	In case of multi-node parallel jobs, you might need to create the directory on all nodes used.		In case of multi-node parallel jobs, you might need to create the directory on all nodes used.
	<br>		<br>
	<br>		<br>

	= Moab Submit Examples =		= Moab Submit Examples =
	You can copy a simple interactive example to your '''workspace''' and run it, using 'msub'		You can copy a simple interactive example to your '''workspace''' and run it, using 'msub'
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	</pre>		</pre>
	<br>		<br>

	= Software-Specific Environments =		= Software-Specific Environments =
	To see a list of all SOFTWARENAME environments set by the 'module load'-command use 'env \| grep SOFTWARENAME'<br>		To see a list of all SOFTWARENAME environments set by the 'module load'-command use 'env \| grep SOFTWARENAME'<br>
	or the command 'module display category/softwarename/version' (you don't need to load the module before!).		or the command 'module display category/softwarename/version' (you don't need to load the module before!).

	<pre>		<pre>
	# EXAMPLE ONLY		# EXAMPLE ONLY
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	</pre>		</pre>
	<br>		<br>

	= Version-Specific Information =		= Version-Specific Information =
	For a more detailed information specific to a specific SOFTWARENAME version, see the information available via the module system with the command		For a more detailed information specific to a specific SOFTWARENAME version, see the information available via the module system with the command
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	[...]		[...]
	</pre>		</pre>
			<br>

	<!-- ====================================================		<!-- ====================================================
	remove comment to put page in category		remove comment to put page in category

R Rutka: /* Versions and Availability */

2015-12-03T13:43:48Z

Versions and Availability

← Older revision		Revision as of 15:43, 3 December 2015
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	\|width=90%		\|width=90%
	\|height=320		\|height=320
	\|border=1		\|border=0
	}}		}}
	<big><p style="color: red;">Open the above links by using the right mouse button and select "open in a new window" or "open in a new tab".</p></big>
	<br>		<br>
	Show a list of available versions using 'module avail category/softwarename' on any HPC-C5 cluster.		Show a list of available versions using 'module avail category/softwarename' on any HPC-C5 cluster.

R Rutka: /* Versions and Availability */

2015-12-01T15:28:57Z

Versions and Availability

← Older revision		Revision as of 17:28, 1 December 2015
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	e.g.: \|url=https://cis-hpc.uni-konstanz.de/prod.cis/bwUniCluster/category/softwarename		e.g.: \|url=https://cis-hpc.uni-konstanz.de/prod.cis/bwUniCluster/category/softwarename
	e.g.: \|url=https://cis-hpc.uni-konstanz.de/prod.cis/bwUniCluster/chem/orca		e.g.: \|url=https://cis-hpc.uni-konstanz.de/prod.cis/bwUniCluster/chem/orca
			Adjust 'height=nnn' to fit the contents without scrolling!
	-->		-->
	<br>		<br>
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	\|url=https://cis-hpc.uni-konstanz.de/prod.cis/bwUniCluster/chem/gromacs <!-- modify here -->		\|url=https://cis-hpc.uni-konstanz.de/prod.cis/bwUniCluster/chem/gromacs <!-- modify here -->
	\|width=90%		\|width=90%
	\|height=~~300~~		\|height=320
	\|border=1		\|border=1
	}}		}}