dlmonte_python_setup/run.taskfarmer at master · jrhmanning/dlmonte_python_setup · GitHub

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#!/usr/bin/env bash
#SBATCH --job-name=TMMFARMER
#SBATCH --partition=batch
#SBATCH --nodes=1
#SBATCH --tasks-per-node=16
#SBATCH --time=24:00:00
#SBATCH --mail-type=END
#SBATCH --mail-user=jrhm21@bath.ac.uk #Change this to your email!
#SBATCH --account=re-ce1100

# -- Set up the environment
module purge
module load slurm
module load group ce-molsim stack
module load gnuplot
module load openmpi
module load taskfarmer

#locate the experiment directory
dt=$(date '+%d/%m/%Y %H:%M:%S');
echo "$(date '+%d/%m/%Y %H:%M:%S')"
# -- Run
echo "Starting scans on $(date '+%d/%m/%Y %H:%M:%S')"
mpiexec -np 16 taskfarmer -f taskfarm.scan1

bash tm_combine_1.sh

echo "Starting scan2 on $(date '+%d/%m/%Y %H:%M:%S')"
mpiexec -np 16 taskfarmer -f taskfarm.scan2

bash tm_combine_2.sh

echo "Finished scans. Starting exploit simulations on $(date '+%d/%m/%Y %H:%M:%S')"
mpiexec -np 16 taskfarmer -f taskfarm.exploit

bash tm_combine_3.sh

echo "Finished exploits. Starting final simulation on $(date '+%d/%m/%Y %H:%M:%S')"
bash dlmonte.sh finalcombine