Before running Mathematica jobs on Maxwell, please consult Mathematica License Server for the proper Mathematica License Server to use. For example: if you are a user of Eur.XFEL facilities or Eur.XFEL staff please set the license server:
mkdir -p $HOME/.Mathematica/Licensing/
echo '!exfllic01.desy.de' > $HOME/.Mathematica/Licensing/mathpass
# to verify
math11.1
Mathematica 11.1.0 Kernel for Linux x86 (64-bit)
Copyright 1988-2017 Wolfram Research, Inc.
In[1]:= $LicenseServer
Out[1]= exfllic01.desy.de
A very primitive sample mathematica job might look like this:
#SBATCH --time=0-00:10:00
#SBATCH --nodes=1
#SBATCH --partition=allcpu
#SBATCH --job-name=mathematica
# set the environment
export LD_PRELOAD=""
source /etc/profile.d/modules.sh
module load mathematica
# use only physical cores
export nprocs=$((`/usr/bin/nproc` / 2))
# exfel license server has only 32 SubKernel Licenses
if [[ "$group" == "exfel" && $nprocs -gt 32 ]]; then
nprocs=32
fi
# run a trivial job
math -noprompt -run '<<math-trivial.m'
exit
This allows to use launch as many kernels as cores available on the compute node. A very trivial sample (math-trivial.m):
tmp = Environment["nprocs"]
nprocs = FromDigits[tmp]
LaunchKernels[nprocs]
Do[Pause[1];f[i],{i,nprocs}] // AbsoluteTiming >> "math-trivial.out"
ParallelDo[Pause[1];f[i],{i,nprocs}] // AbsoluteTiming >>> "math-trivial.out"
Quit[]