Mathematica
Mathematica is a technical computing environment and programming language with strong symbolic and numerical abilities.
Batch Submission
Unfortunately, it is not possible to run Mathematica notebook .nb files directly in batch. Instead, you need to create a simple text file that contains all of the Mathematica commands you want to execute. Typically, such files are given the extension .m. Let’s run the following simple Mathematica script as a batch job.
(*Find out what version of Mathematica this machine is running*)
Print["Mathematica version is " <> $Version]
(*Find out the name of the machine we are running on*)
Print["The machine name is " <> $MachineName]
(*Do a calculation*)
Print["The result of the integral is "]
Print [ Integrate[Sin[x]^2, x]]
Copy and paste the above into a text file called very_simple_mathematica.m
An example batch submission script for this file is
#!/bin/bash
# Request 4 gigabytes of real memory
#SBATCH --mem=4G
#SBATCH --mail-user=a.person@sheffield.ac.uk
#SBATCH --mail-type=ALL
module load Mathematica/13.2.1
math -script very_simple_mathematica.m
Copy and paste the above into a file called run_job.sh and submit with
sbatch run_job.sh
Once the job has successfully completed, the output will be in a file named like slurm-4835.out. The number at the end refers to the job-ID given to this job by the system and will be different for you. The contents of this file is
more slurm-4835.out
Mathematica version is 13.2.1 for Linux x86 (64-bit) (January 27, 2023)
The machine name is node301
The result of the integral is
x/2 - Sin[2*x]/4
Installation notes
These are primarily for administrators of the system.
Set the the University network Mathematica license in /opt/apps/testapps/common/easybuild/hooks/default.py.
Download the Mathematica package, Mathematica_13.2.1_LINUX.sh, from Wolfram.
mkdir -p /opt/apps/testapps/media/eb-srcs/m/Mathematica/
mv Mathematica_13.2.1_LINUX.sh /opt/apps/testapps/media/eb-srcs/m/Mathematica/
Mathematica was installed using Easybuild 4.7.0, build details can be found in $EBDEVELMATHEMATICA
Testing was performed using the above examples.