job1_mpi.sh

#!/bin/bash --login
#$ -cwd             # Job will run from the current directory
#$ -N moea1_mpi
#$ -V
#$ -pe mpi-24-ib.pe 144
#$ -M tomasz.k.janus@gmail.com
#$ -m be
#$ -t 1-2          # A job-array with 2 seeds

# Initialise proxy before making any downloads/uploads
module load tools/env/proxy

# Load Anaconda Python
module load apps/binapps/anaconda3/2019.03  # Python 3.7.3

# Try also a newer version
# module load apps/binapps/anaconda3/2019.07  # Python 3.7.3

module load compilers/gcc/8.2.

export HDF5_USE_FILE_LOCKING=FALSE
export PARFLOW_PYWR=/mnt/iusers01/mace01/w79846tj/parflow-pywr-moea/
export PARFLOW_DIR=/mnt/iusers01/mace01/w79846tj/parflow/install

# A bash array of seeds
SEED_PARAM=( 10 20 30 40 50 60 70 80 90 100 )

# Job index for each of the run in the job-array
INDEX=$((SGE_TASK_ID-1))

# Activate conda environment
conda activate parflow_pywr

# Inform the Python script how many cores to use - $NSLOTS is automatically set to the number given above.
# export OMP_NUM_THREADS=$NSLOTS

#set NUMEXPR_MAX_THREADS=144

#export OMPI_MCA_btl=openib,self,vader
#export OMPI_MCA_pml=ob1

# To run a new job (use 100000 function evaluations and NSGAIII algorithm and custom index defined by the simulation run index)
mpirun -n $NSLOTS parflow-pywr search optim_seed_$SGE_TASK_ID -h file://optim_results_seed_$SGE_TASK_ID -d \
optim_$SGE_TASK_ID -w parflow_tmp_$SGE_TASK_ID --mpi -a NSGAIII -ne 140000 -p $NSLOTS -i pywr-1-reservoir-model_profile1.json \
--seed=${SEED_PARAM[$INDEX]}