Mathematical/Numerical Software

Numerical Software

Matlab

Matlab is a universal interactive numerical application system with advanced graphical user interface. You can find some documentation of the provider here.

Licence

On the HPC resources at GWDG there are 5 network licences available for Matlab. Also we have following extensions: Simulink, Optimization Toolbox, Parallel Computing Toolbox and Statistics and Machine Learning Toolbox.

For users from MPG we offer the flat rate 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 hpc@gwdg.de.

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:

srun --x11 -c 20 -N 1 -p int --pty bash

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'.

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

Computer Algebra

Computer algebra is a part of computer science, where algebraic algorithms are designed, analysed, implemented und 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:

srun --x11 -c 20 -N 1 -p int --pty bash

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.

Mathematica

Mathematica is a universal interactive computer algebra application system with advanced graphical user interface.

Lizence

On the HPC ressources at GWDG there are four network licences available for Mathematica.

Command

First prepare the necessary environment with:

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:

srun --x11 -c 20 -N 1 -p int --pty bash

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.

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