==== dfnWorks ====

[[https://dfnworks.lanl.gov/|dfnWorks]]

dfnWorks is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport. Developed at Los Alamos National Laboratory, it has been used to study flow and transport in fractured media at scales ranging from millimeters to kilometers.

=== Job dfnWorks 2.9.6 (single node, multitasks) for CPU ===

Example script ''slurm-dfnworks-demo.sh'' to run dfnWorks on 1 node of the ''cpu'' partition using 4 cores and at most 2 GB of memory:

<code bash slurm-dfnworks-demo.sh>
#!/bin/bash --login
#SBATCH --job-name=dfnworks
#SBATCH --output=%x.o%j
#SBATCH --error=%x.e%j
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=4
#SBATCH --mem=2G
#SBATCH --time=0-00:05:00
#SBATCH --partition=cpu
#SBATCH --qos=cpu
#SBATCH --account=<account>

shopt -q login_shell || exit 1
test -n "$SLURM_NODELIST" || exit 1
test $SLURM_NNODES -eq 1 || exit 1

module load apptainer
module load dfnworks/2.9.6

test -n "$DFNWORKS_CONTAINER" || exit 1

rm -rf demo

apptainer exec \
    "$DFNWORKS_CONTAINER" \
    cp -a /dfnWorks/examples/4_user_rects demo

cd demo

sed -r -e "s/ncpu=[0-9]+/ncpu=int\(os.environ\['SLURM_NTASKS'\]\)/" driver.py > driver-slurm-aware.py

apptainer exec \
    "$DFNWORKS_CONTAINER" \
    python3 driver-slurm-aware.py
</code>

Example script ''slurm-dfnworks.sh'' to run dfnWorks on 1 node of the ''cpu'' partition using 8 cores and at most 16 GB of memory:

<code bash slurm-dfnworks.sh>
#!/bin/bash --login
#SBATCH --job-name=dfnworks
#SBATCH --output=%x.o%j
#SBATCH --error=%x.e%j
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=8
#SBATCH --mem=16G
#SBATCH --time=0-06:00:00
#SBATCH --partition=cpu
#SBATCH --qos=cpu
#SBATCH --account=<account>

shopt -q login_shell || exit 1
test -n "$SLURM_NODELIST" || exit 1
test $SLURM_NNODES -eq 1 || exit 1

module load apptainer
module load dfnworks/2.9.6

test -n "$DFNWORKS_CONTAINER" || exit 1

sed -r -e "s/ncpu=[0-9]+/ncpu=int\(os.environ\['SLURM_NTASKS'\]\)/" driver.py > driver-slurm-aware.py

apptainer exec \
    "$DFNWORKS_CONTAINER" \
    python3 driver-slurm-aware.py
</code>