Dear Amber experts,
The following script well works for running sequential jobs in foreground.
& in the end of the command is not allowed in the script.
What changes and corrections should be added to the script to run job
in the background?
Thank you,
Michael
set MDINPUT=0
echo -n "Starting Script at: "
date
echo ""
while ( $MDCURRENTJOB <= $MDENDJOB )
echo -n "Job $MDCURRENTJOB started at: "
date
. MDINPUT = $MDCURRENTJOB - 1
nohup mpirun -np 2 $AMBERHOME/bin/pmemd.cuda.MPI -O -i prod.in \
-o test_md$MDCURRENTJOB.out \
-p ../ras-raf_solvated.prmtop \
-c test_md$MDINPUT.rst \
-r test_md$MDCURRENTJOB.rst \
-x test_md$MDCURRENTJOB.mdcrd
#gzip -9 -v a-dna_md$MDCURRENTJOB.mdcrd
echo -n "Job $MDCURRENTJOB finished at: "
date
. MDCURRENTJOB = $MDCURRENTJOB + 1
end
echo "ALL DONE"
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Received on Mon Jan 30 2017 - 09:00:04 PST
