Slurm script for Freya on MPCDF

freya-slurm-script.sh

#!/bin/bash

# Standard output and error:
#SBATCH -o ./tjob.%x.out.%j
#SBATCH -e ./tjob.%x.err.%j
#SBATCH --job-name="CCtest"
#
# Number of nodes and MPI tasks per node:
#SBATCH --nodes=15
#SBATCH --ntasks-per-node=40
#
#SBATCH --mail-type=BEGIN
#SBATCH --mail-user=alankard@mpa-garching.mpg.de
#
# Partition
#SBATCH --partition=p.24h
# Wall clock limit:
#SBATCH --time=00-23:59:58

# Load compiler and MPI modules with explicit version specifications,
# consistently with the versions used to build the executable.

echo "Working Directory = $(pwd)"

cd $SLURM_SUBMIT_DIR
export OUTPUT_LOC=$SLURM_SUBMIT_DIR/output-c100,m1.996,T4e4,t8.00,r2292.516
export PROG="./pluto" 
# export ARGS="-catalyst 1 AllFieldsCatalyst.py"
# export ARGS="-maxsteps 500"
mkdir -p $OUTPUT_LOC/Log_Files
cp $SLURM_SUBMIT_DIR/definitions.h $OUTPUT_LOC
cp $SLURM_SUBMIT_DIR/pluto.ini $OUTPUT_LOC
cp $SLURM_SUBMIT_DIR/pluto $OUTPUT_LOC

module purge
module load gcc/10 openmpi/4 hdf5-mpi/1.12.0

export LD_LIBRARY_PATH="/mpcdf/soft/SLE_15/packages/skylake/openmpi/gcc_10-10.3.0/4.0.7/lib:/mpcdf/soft/SLE_15/packages/skylake/gsl/gcc_10-10.3.0/2.4/lib:/mpcdf/soft/SLE_15/packages/skylake/fftw/gcc_10-10.3.0-openmpi_4-4.0.7/3.3.10/lib:/mpcdf/soft/SLE_15/packages/skylake/hdf5/gcc_10-10.3.0-openmpi_4-4.0.7/1.12.0/lib:$LD_LIBRARY_PATH"

# export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/mpcdf/soft/SLE_15/packages/x86_64/paraview/5.10.1/lib/catalyst"


# export VTK_SILENCE_GET_VOID_POINTER_WARNINGS=1

srun $PROG $ARGS