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en:services:application_services:high_performance_computing:software:mathematical_numerical [2024/02/08 15:40] – [Command] meulert1en:services:application_services:high_performance_computing:software:mathematical_numerical [2024/06/14 09:55] (current) – [Command] phoehn
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 +====== Mathematical/Numerical Software ======
  
 +===== Numerical Software =====
 +
 +====  MATLAB ====
 +MATLAB is a universal interactive numerical application system with advanced graphical user interface. MathWorks offers many online beginners tutorials (onramps) to get you started with MATLAB [[https://matlabacademy.mathworks.com/#getting-started|here]]. This also includes onramps to different, more dedicated topics:
 +
 +  *  MATLAB Onramp
 +  * Simulink Onramp
 +  * Machine Learning Onramp
 +  * Deep Learning Onramp
 +  * Image Processing Onramp
 +
 +=== License ===
 +On the HPC resources at GWDG there are 5 network licenses available for Matlab. Also we have the following extensions: Simulink, Optimization Toolbox, Parallel Computing Toolbox and Statistics and Machine Learning Toolbox.
 +
 +For users from MPG we offer the flat rate [[https://www.soli.mpdl.mpg.de/en/software/matlab/|License from MPG ]], which covers all toolboxes including MATLAB Parallel Server (formerly Distributed computing). However, you need to apply for the access to the license. You can do it by writing to  [[mailto:hpc-support@gwdg.de|hpc-support@gwdg.de]]. With this license you also have access to additional trainings, e.g.:
 +
 +   * [[https://matlabacademy.mathworks.com/details/matlab-fundamentals/mlbe|MATLAB Fundamentals (16.5 h)]] 
 +   * [[https://matlabacademy.mathworks.com/details/simulink-fundamentals/slbe|Simulink Fundamentals (8 h)]]
 +   * [[https://matlabacademy.mathworks.com/details/matlab-for-data-processing-and-visualization/mlvi|MATLAB for Data Processing and Visualization (8 h)]]
 +   * [[https://matlabacademy.mathworks.com/details/machine-learning-with-matlab/mlml|Machine Learning with MATLAB (12 h)]]
 +   * [[https://matlabacademy.mathworks.com/details/deep-learning-with-matlab/mldl|Deep Learning with MATLAB (8 h)]]
 +
 + 
 +
 +=== Command ===
 +
 +First prepare the necessary environment with:
 +
 +''module load matlab/R2020b''
 +
 +The use of Matlab must be be scheduled by the batch system in the interactive queue onto an available node. Therefore the following command to the batch system is necessary:
 +
 +''<nowiki>srun --x11 -c 20 -N 1 -p int --pty bash</nowiki>''
 +
 +after a short time period you will get a Shell prompt and you can call Matlab with the command:
 +
 +''matlab''
 +
 +The current version can be found on the main matlab screen under 'Help - About Matlab'.
 +
 +:!: Note that this example command does not set a time limit, so your job will have the default limit of 1 hour. After that time is up, your session will be killed by the batch system. Make sure to familiarize yourself with the ''srun'' command and its parameters and set a higher time limit by specifying the switch ''-t'', see [[en:services:application_services:high_performance_computing:running_jobs_slurm|here]].
 +
 +
 +=== Parallelization ===
 +
 +The cluster currently has only Parallel Computing Toolbox for Matlab (without Matlab Distributed Computing Server), it means that the opportunities of parallelization are limited in one node. You can only use multiple processors of a **single** computing node.
 +
 +Parallel Computing Toolbox provides following commands and structures for parallel programs:
 +  * parfor - parallel for loop
 +  * gpuArray - to work with GPU
 +  * parfeval
 +  * spmd
 +  * tall arrays
 +
 +MPG users can also use the MATLAB Parallel Server to parallelize your application across multiple nodes. Find all information necessary to get started [[https://docs.gwdg.de/doku.php?id=en:services:application_services:high_performance_computing:software:mathematical_numerical:matlab_parallel_server_scc|here]].
 +===== Computer Algebra =====
 +
 +Computer algebra is a part of computer science, where algebraic algorithms are designed, analyzed, implemented and applied. GWDG provides the following computer algebra systems with different highlights in mathematics and graphics to its users.
 +
 +==== Maple ====
 +
 +Maple is a universal interactive computer algebra application system with advanced graphical user interface.
 +
 +=== License ===
 +On the HPC ressources at GWDG there are four network licences available for Maple.
 +
 +=== Command ===
 +First prepare the necessary environment with:
 +
 +''module load maple''
 +
 +The use of Maple then will be scheduled by the batch system in the interactive queue onto a free ressource. Therefore the following command to the batch system is necessary:
 +
 +''<nowiki>srun --x11 -c 24 -N 1 -p int --pty bash</nowiki>''
 +
 +after a short time period you will get a Shell prompt and you can call Maple in the command line version with the command:
 +
 +''maple'' or in the X11 window version with ''xmaple''
 +
 +The current version is printed as the first line of the output.
 +
 +:!: Note that this example command does not set a time limit, so your job will have the default limit of 1 hour. After that time is up, your session will be killed by the batch system. Make sure to familiarize yourself with the ''srun'' command and its parameters and set a higher time limit by specifying the switch ''-t'', see [[en:services:application_services:high_performance_computing:running_jobs_slurm|here]].
 +==== Mathematica ====
 +Mathematica is a universal interactive computer algebra application system with advanced graphical user interface.
 +
 +=== License ===
 +On the HPC ressources at GWDG there are four network licences available for Mathematica.
 +
 +=== Command ===
 +
 +First prepare the necessary environment with:
 +
 +''module load rev/21.12''
 +
 +''module load mathematica''
 +
 +The use of Mathematica then will be scheduled by the batch system in the interactive queue onto a free ressource. Therefore the following command  to the batch system is necessary:
 +
 +''<nowiki>srun --x11 -c 24 -N 1 -p int --pty bash</nowiki>''
 +
 +after a short time period you will get a Shell prompt and you can call Mathematica in the command line version with the command:
 +
 +''math'' or in the X11 window version with the command ''mathematica''
 +
 +The current version is printed as the first line of the output.
 +
 +:!: Note that this example command does not set a time limit, so your job will have the default limit of 1 hour. After that time is up, your session will be killed by the batch system. Make sure to familiarize yourself with the ''srun'' command and its parameters and set a higher time limit by specifying the switch ''-t'', see [[en:services:application_services:high_performance_computing:running_jobs_slurm|here]].