This version (2022/06/20 09:01) was approved by msiegel.

iscreen job script with iworkers on several compute nodes:

#$ -N itest
#$ -pe mpich 32
##$ -l h_rt=3600


ligand_scout_dir=$HOME/programs/ligandscout/ligandscout3

iworker=${ligand_scout_dir}/iworker
#default port is 30000
iworker_port=30000
iscreen=${ligand_scout_dir}/iscreen
iscreen_hosts=""

hosts=`uniq $TMPDIR/machines`
for i in $hosts
do
        ssh $i "$iworker &> /dev/null" &
        iscreen_hosts=${iscreen_hosts},${i}:$iworker_port
done
iscreen_hosts=${iscreen_hosts#?}


#--comma-sep-hosts $iscreen_hosts
#--exec-mode network does not work, only short form -x !!!!
$iscreen -x network --comma-sep-hosts $iscreen_hosts ....
  • doku/ligandscout.txt
  • Last modified: 2013/12/19 08:43
  • (external edit)