software

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software [2021/09/14 14:52]
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-====== Software ====== 
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-On the mogon clusters we install a broad variety of software (libraries and applications) for our users. We seek to install all software in optimized form - as far as possible. 
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-===== Non-Canonical Installation Helpers ===== 
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-<WRAP center round important 60%> 
-Many users feel tempted to install software themselves. This is perfectly fine, yet support for self-installed software cannot be granted. 
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-Particularly, we strongly discourage using any ''*conda'' or ''brew'' setup on one of our clusters: It has often been a source of messing up an existing environment only to be discovered at a source of interference when switching back our modules. 
-</WRAP> 
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-===== EasyBuild and Software Installation on Mogon Clusters ===== 
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-If some application or library or a flavor of it is missing you can [[https://hpc.uni-mainz.de/high-performance-computing/service-angebot/softwareinstallation/|ask us with this little form]] to install it. We apologize, but at some point the need arose to be a somewhat formal. We use [[https://easybuilders.github.io/easybuild/|EasyBuild]] as a framework to install software and control the module building process. In our form we ask to indicate an [[http://easybuild.readthedocs.io/en/latest/version-specific/Supported_software.html|EasyBuild configuration file]], if applicable. 
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-You may install software independently, yet in this case our support has to be limited. 
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-If an EasyBuild configuration is missing, but the desired software is of interest to a handful of people, we might write the missing EasyBuild together. Please approach us in this case. 
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-===== Easybuild Toolchains ===== 
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-When looking in the list of installed modules you see abbreviations as ''foss'', ''gompi'' or similar. These are the [[http://easybuild.readthedocs.io/en/latest/eb_list_toolchains.html|EasyBuid Toolchains]], matches of specific compilers and basic library versions bundled together. 
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-When compiling or using software, please ensure that matching compilers and libraries have been used or loaded. Otherwise software might just crash for a variety of reasons. Please report, if a desired library is missing for a given toolchain. 
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-===== Installed Software and Modulefiles ===== 
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-All software installed by the HPC team for users is available within so-called [[https://en.wikipedia.org/wiki/Environment_Modules_%28software%29|Environment Modules]]: Little scripts, which set the matching environment variables for the desired application or library. More on Modulefiles can be found [[setting_up_environment_modules|on our wiki page covering Modules]]. This page covers looking for area specific tools, too. 
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-==== Compilers ==== 
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-Compilers are available when loading a module file associated with a toolchain. To obtain only a compiler, you can load any module in the ''compiler'' trunk of our modulefiles: 
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-<code bash> 
-$ module load compiler/[TAB] 
-</code> 
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-==== MPIs ==== 
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-Using MPI-Modules can be special. Please refer to our [[mpi|MPI wiki page]]. 
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-==== Licensed Software / Proprietary Software ==== 
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-For software which is associated with a restricted software, we have a number of options: 
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-  - if the software anticipates a license server, we can setup the software (install + connect to the license server) for or with you. 
-  - if the software may be run by anyone who has signed a license, we can install the software (an [[software:topical:physics:vmd_namd|example would be VMD + NAMD]]) and make it accessible to a particular user or group. 
-  - If your case is special and not yet listed, get in touch with us. 
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-<WRAP center round info 90%> 
-In the 2nd case (a software which comes with a license, which prohibits us to "//just install and everyone can use it//") we require you (individual users of a group, possible several signs on one form) to print and sign printed licenses. Subsequently, send it via internal mail ("Hauspost") to "ZDV HPC group". We will then set the permissions accordingly. 
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-When doing so, please include: 
-  * your name 
-  * your username 
-  * your email address (in case we need to approach you) 
-  * Software (if not already stated on the license agreement) 
-  * Software Version (if not already stated on the license agreement) 
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-Multiple users may sign a single license agreement if the agreement in question permits this. 
-</WRAP> 
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-===== Topical Software ===== 
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-We have [[software:topical:|gathered]] a few additional descriptions on area specific software (packages). You will find more information at the specific pages. 
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