#!/bin/sh -f
# @ initialdir = /work2/u13doc00/0321/0.01/0.03
# @ job_type = mpich
# @ output = md0.03.out
# @ error  = md0.03.err
# @ node = 1
# @ tasks_per_node = 4
# @ class = e8cpu
# @ queue

source /package/chem/amber11/setamber
echo "MPD_SECRETWORD=u13doc00md0.0327399" > ~/.mpd.conf
echo 'The AMBEr11 job starts at:' \'date\'
echo $LOADL_PROCESSOR_LIST|tr " " "\n" | uniq | sed -e s/$/:8/ > mpd.hosts
cat $LOADL_HOSTFILE  > /work2/u13doc00/0321/0.01/0.03/hostlist

/package/chem/lib/mpich2/intel/bin/mpdboot -n 1 --ncpus=4 -f /work2/u13doc00/0321/0.01/0.03/mpd.hosts

./md0.03.tmp

echo "Your AMBER11 job using 4 cores begins at" `date`
wait


echo "Your AMBER11 job finishes at" `date`

