#!/bin/bash -x #BSUB -P #BSUB -J libe_mproc #BSUB -W 00:30 #BSUB -nnodes 4 #BSUB -alloc_flags "smt1" # Script to run libEnsemble using multiprocessing on launch nodes. # Assumes Conda environment is set up. # To be run with central job management # - Manager and workers run on launch node. # - Workers submit tasks to the nodes in the job available. # Name of calling script- export EXE=run_libensemble_on_warpx.py # Communication Method export COMMS="--comms local" # Number of workers. export NWORKERS="--nworkers 24" # Wallclock for libE. Slightly smaller than job wallclock #export LIBE_WALLCLOCK=15 # Optional if pass to script # Name of Conda environment export CONDA_ENV_NAME=libensemble export LIBE_PLOTS=true # Require plot scripts in $PLOT_DIR (see at end) export PLOT_DIR=.. # Need these if not already loaded # module load python # module load gcc # module load cuda module unload xalt # Activate conda environment export PYTHONNOUSERSITE=1 . activate $CONDA_ENV_NAME # hash -d python # Check pick up python in conda env hash -r # Check no commands hashed (pip/python...) # Launch libE. #python $EXE $NUM_WORKERS $LIBE_WALLCLOCK > out.txt 2>&1 python $EXE $COMMS $NWORKERS > out.txt 2>&1 if [[ $LIBE_PLOTS = "true" ]]; then python $PLOT_DIR/plot_libe_calcs_util_v_time.py python $PLOT_DIR/plot_libe_runs_util_v_time.py python $PLOT_DIR/plot_libe_histogram.py fi