Mathematica Batch Jobs

In order to be able to use Mathematica, you have to load the program with the module load xyz command

[username@l32]$ module avail  # select a Mathematica version
[username@l32]$ module load Mathematica/10.0.2 # load desired version
[username@l32]$ module list   # check loaded modules
Currently Loaded Modulefiles:
  1) Mathematica/10.0.2  

(See also the introduction to the module command.)

Now, Mathematica can be called by

[username@l32]$ math 

Mathematica script example math-vsc3.m:

GetEnvironment["MATH_BIN"]
math = Environment["MATH_BIN"]
kernelsperhost = 16
hosts=Import["nodelist","List"];



Needs["SubKernels`RemoteKernels`"]
$RemoteCommand = "ssh -x -f -l `3` `1` " <> math <> " -mathlink -linkmode Connect `4` -linkname '`2`' -subkernel -noinit" 


(* first host with one kernel less *)
LaunchKernels[RemoteMachine[hosts[[1]], kernelsperhost-1]];

imin=2;
imax=Length[hosts];
idelta=1;

Do[ 
        LaunchKernels[RemoteMachine[hosts[[i]], kernelsperhost]];
        , {i, imin, imax, idelta}] 

primelist = ParallelTable[Prime[k], {k, 1, 20000000}];
Print[primelist]

sbatch job script jobPar.sh:

#!/bin/bash
#
#SBATCH -J par
#SBATCH -N 2
#SBATCH -L mathematica@vsc


module purge
module load Mathematica/10.0.2 # load desired version


export MATH_BIN=`which math`
#export MATH_PROC=16
scontrol show hostnames $SLURM_NODELIST > nodelist
#execute prolog for getting access to license everywhere
srun hostname


math -run < math-vsc3.m

[username@l32]$ sbatch jobPar.sh      # submit your job
[username@l32]$ squeue -u username    # check state of your job

The setup follows Local mathematica with remote kernel with the

\\\“Shell command to launch kernel\\\”

for VSC3+

\\\“/Users/<LOCAL-USERNAME>/Library/tunnel.sh\\\” <VSC-USERNAME>@localhost:9998 /opt/sw/x86_64/generic/Mathematica/11.3/bin/math \\\“`linkname`\\\”

for VSC4

\\\“/Users/<LOCAL-USERNAME>/Library/tunnel.sh\\\” <VSC-USERNAME>@localhost:9998 /opt/sw/vsc4/VSC/x86_64/generic/Mathematica/12.3.1/bin/math \\\“`linkname`\\\”

Note that on VSC4, the salloc command [as described on the cc-mathematik.univie.ac.at web link] does not specify the Mathematica license but typically needs a granted reservation.