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software:python [2019/04/26 09:51]
meesters [Working with Scalars in Numerics Code]
software:python [2019/08/12 12:17] (current)
meesters [Content of those modulefiles]
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 ==== Content of those modulefiles ==== ==== Content of those modulefiles ====
 +
 +=== Python2 < 2.7.16 and Python3 < 3.7.4 ===
  
 The Python-Versions available as module files, do provide ''​numpy'',​ ''​scipy'',​ ''​pandas'',​ ''​cython''​ and more. However, especially a ''​matplotlib''​ module is most likely missing. This is because our installation framework installs it separately. Hence, the ''​matplotlib''​ functionality has to be loaded as an additional functionality as a [[:​setting_up_environment_modules|module file]]. The Python-Versions available as module files, do provide ''​numpy'',​ ''​scipy'',​ ''​pandas'',​ ''​cython''​ and more. However, especially a ''​matplotlib''​ module is most likely missing. This is because our installation framework installs it separately. Hence, the ''​matplotlib''​ functionality has to be loaded as an additional functionality as a [[:​setting_up_environment_modules|module file]].
  
  The ''​intel''​ versions are link against [[https://​software.intel.com/​en-us/​intel-mkl|Intel'​s MKL]]. Exporting ''​OMP_NUM_THREADS''​ enables multithreaded matrix handling with ''​numpy''​.  The ''​intel''​ versions are link against [[https://​software.intel.com/​en-us/​intel-mkl|Intel'​s MKL]]. Exporting ''​OMP_NUM_THREADS''​ enables multithreaded matrix handling with ''​numpy''​.
 +
 +
 +=== Python2 >= 2.7.16 and Python3 >= 3.7.4 ===
 +
 +Our installation framework altered its policies to avoid the cluttering of modulefiles. Hence, when loading a Python Module:
 +
 +<code bash>
 +$ module load lang/​Python/<​python-version>​
 +</​code>​
 +
 +only the bare Python with a few additional libraries (or "​modules"​ in Python-speak) is available. To use the scientific modules load:
 +
 +<code bash>
 +$ module load load lang/​SciPy-bundle/<​bundle-version>​
 +</​code>​
 +
 +The toolchain version of the ''​bundle-version''​ has to fit the compiler of the ''​python-version''​. The same is true for the matplotlib modules, which can be loaded as:
 +
 +<code bash>
 +$ module load load vis/​matplotlib/<​matplotlib-version>​
 +</​code>​
 +
 +In this case the Python versions of the Python-module and the matplotlib module have to match as well as the toolchain version to the python version.
 +
 +Here is a list of matching versions:
 +
 +^ Python Compiler Version ^ SciPy-bundle or Matplotlib toolchain ^ 
 +| ''​GCCcore-8.3.0'' ​      | ''​foss-2019a''​ |
  
 ==== Which version should be picked? ==== ==== Which version should be picked? ====
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 Python is an interpreted language. As such it should not be used for lengthy runs in an HPC environment. Please use the availability to compile your own modules with Cython; consult the relevant [[http://​cython.org/​|Cython documentation]]. If you do not know how to start, attend a local Python course or schedule a meeting at our local HPC workshop. Python is an interpreted language. As such it should not be used for lengthy runs in an HPC environment. Please use the availability to compile your own modules with Cython; consult the relevant [[http://​cython.org/​|Cython documentation]]. If you do not know how to start, attend a local Python course or schedule a meeting at our local HPC workshop.
  
-====== Special packages ====== 
- 
-Please note that we have already installed numpy, scipy and matplotlib in the versions of Python that we provide additionally. 
- 
-===== NumPY ===== 
- 
-http://​www.numpy.org/​ 
  
-When installing NumPY, the first installation attempt fails at exit. Don't worry, the installation is already finished then, but to be sure, you can simply run the command again to see it exiting cleanly. 
  
-Note that NumPY can also be linked against the [[software:​mkl|Intel Math Kernel Library]] or the [[software:​acml|AMD Core Math Library]]: 
-  * MKL: http://​software.intel.com/​en-us/​articles/​numpyscipy-with-intel-mkl 
-  * ACML: http://​mail.scipy.org/​pipermail/​numpy-discussion/​2012-May/​062309.html 
  
software/python.1556265106.txt.gz · Last modified: 2019/04/26 09:51 by meesters