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software [2013/10/30 13:35] – [Software-Wishlist] geada | software [2020/01/24 10:37] – [Non-Canonical Installation Helpers] meesters | ||
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====== Software ====== | ====== Software ====== | ||
- | ===== Installed Software ===== | + | 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. |
+ | |||
+ | ===== Non-Canonical Installation Helpers ===== | ||
+ | |||
+ | <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. | ||
+ | |||
+ | Particularly, | ||
+ | </ | ||
+ | |||
+ | ===== EasyBuild and Software Installation on Mogon Clusters ===== | ||
+ | |||
+ | If some application or library or a flavor of it is missing you can [[https:// | ||
+ | |||
+ | You may install software independently, | ||
+ | |||
+ | 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. | ||
+ | |||
+ | ===== Easybuild Toolchains ===== | ||
+ | |||
+ | When looking in the list of installed modules you see abbreviations as '' | ||
+ | |||
+ | 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. | ||
+ | |||
+ | ===== Installed Software | ||
+ | |||
+ | All software installed by the HPC team for users is available within so-called [[https:// | ||
+ | |||
==== Compilers ==== | ==== Compilers ==== | ||
- | * GCC 4.4.6 ((From | + | Compilers are available when loading a module file associated with a toolchain. To obtain only a compiler, you can load any module in the '' |
- | * Intel Composer 2011 SP1 ((Modulefile '' | + | |
- | * Open64 4.5.1 / 4.5.2 ((Modulefiles '' | + | <code bash> |
- | * PGI 12.4 ((Modulefiles '' | + | $ module load compiler/[TAB] |
+ | </code> | ||
==== MPIs ==== | ==== MPIs ==== | ||
- | See [[mpi|MPI]]. | + | Using MPI-Modules can be special. Please refer to our [[mpi|MPI |
+ | |||
+ | ==== Licensed Software / Proprietary Software ==== | ||
+ | |||
+ | For software which is associated with a restricted software, we have a number of options: | ||
+ | |||
+ | - 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: | ||
+ | - If your case is special and not yet listed, get in touch with us. | ||
+ | |||
+ | <WRAP center round info 90%> | ||
+ | In the 2nd case (a software which comes with a license, which prohibits us to "// | ||
+ | |||
+ | 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) | ||
+ | |||
+ | Multiple users may sign a single license agreement if the agreement in question permits this. | ||
+ | </ | ||
+ | |||
+ | |||
+ | ===== Topical Software ===== | ||
- | ==== Libraries ==== | + | We have [[software: |
- | * [[software: | ||
- | * Available with '' | ||
- | * Available with multiprocessing ('' | ||
- | * [[software: | ||
- | * [[http:// | ||
- | ==== Applications ==== | ||
- | Mostly to be found under ''/ | ||
- | * [[software: | ||
- | * [[software: | ||
- | * [[software: | ||
- | * [[software: | ||
- | * [[software: | ||
- | * [[software: | ||
- | * [[software: | ||
- | * [[software: | ||
- | * [[software: | ||
- | * [[software: | ||
- | * [[software: | ||
- | * Matlab | ||
- | * [[software: | ||
- | * [[software: | ||
- | ===== Soon available ===== | ||
- | * Ferret 6.82 | ||
- | * netCDF 4.2-C++ | ||
- | * BLAST+ | ||
- | ===== Software-Wishlist ===== | ||
- | * Rosetta | ||
- | * VASP | ||
- | * AceMD | ||
- | * Molden or any molecule visualizer |