• Different clusters require different job scripts. Some examples which have been found to work on different systems are posted here:

On gaia, it was found easiest to use two scripts. The first, the 'submission' script, requests resources from the cluster and runs the second 'launch' script on the nodes assigned:

subOar.bash

#!/bin/bash
 
##number of nodes
nodes=2
 
oarsub  --resource "nodes=$nodes,walltime=72"\
                   "./launch.bash $(pwd)/START_CONFIGS/start_2162525824.blk $(pwd)/bench.conf"

launch.bash

#!/bin/bash
 
##this should point to directory which contains the espresso job script
HARNESS=/scratch/users/jberryman/lj_spres/02197_particles_lange_0.001/harness
 
##this should point to a the FRESHS script directory root
FRESHS=/home/clusterusers/jberryman/freshs
 
##Simulation executable
ESPRESSO=/home/clusterusers/jberryman/Espresso/bin/Espresso
 
##read/write DBs here
DB=/home/clusterusers/jberryman/lj_spres/02197_particles_lange_0.001/DB
 
##read/write system states here
CONF=/scratch/users/jberryman/lj_spres/02197_particles_lange_0.001/CONF
 
##list of node hostnames
NODES=$(cat $OAR_NODEFILE)
 
##save pwd
HERE=$(pwd)
 
##test arguments
if [ $# -lt 2 ]
then
  echo 'Error: require 2 arguments, name of an initial system state file'
  echo '      +FRESHS config file.'
  exit 65
fi
 
startFile="$1"
 
##this should point to a FRESHS config file
inFile="$2"
 
 
 
##test if Espresso is present
if [ $(which "$ESPRESSO") ]
then
    echo have Espresso as: "$ESPRESSO"
else
    echo could not find Espresso as: "$ESPRESSO"
    exit
fi
if [ $(ls "$FRESHS"/server/server.py) ]
then
    echo have FRESHS: "$FRESHS"
else
    echo could not find FRESHS as: "$FRESHS"
    exit
fi
 
 
##prepare start config
cp  $startFile        $HARNESS/initial_config.dat
 
##uncomment to turn on profiling
#PROF=" -m cProfile -o profile.dat"
PROF=""
 
##clip the first and last host ids from the list:
SERVER_HOST=$(echo $NODES | awk '{print $1}')
LAST_NODE=$(echo $NODES | awk '{print $NF}')
NODES=$(echo $NODES | awk '{for(i=2;i<NF;i++){printf "%s ",$i}}')
 
 
##launch the server
oarsh $SERVER_HOST "cd $HERE; python $PROF $FRESHS/server/main_server.py \
            --db-folder $DB --config-folder $CONF --config $inFile > server.log 2>&1" &
 
 
sleep 2  ##wait for the server to load before starting the clients
 
 
for node_host in $NODES
do
    oarsh "$node_host" "cd $HERE; nice python $FRESHS/client/main_client.py --server $SERVER_HOST \
                      $ESPRESSO $HARNESS  >/dev/null 2>/dev/null" &
done
oarsh "$LAST_NODE" "cd $HERE; nice python $FRESHS/client/main_client.py --server $SERVER_HOST \
  $ESPRESSO $HARNESS  >client_log 2>&1"