Here is a sample of one of my scripts
that works fine under Linux PBS with MPI.
#!/bin/csh
#PBS -j oe
#PBS -l nodes=4
#PBS -M carlos
#PBS -N run1
set mpich_run = "/usr/lib/mpich/bin/mpirun"
set sander = "~carlos/sander"
set topo = "./prmtop"
set coor = "./inpcrd"
cd $PBS_O_WORKDIR
$mpich_run -machinefile $PBS_NODEFILE -np `wc -l < $PBS_NODEFILE` $sander \
-O \
-i md.in \
-o md.out \
-p $topo \
-c $coor \
-x mdcrd \
-e mden \
-v mdvel \
-inf mdinfo \
-r mdrestrt
>
> On Wed, 2 Apr 2003, Venkata S Koppuravuri wrote:
>
> > Hi, I am trying to learn how to submit batch job using MPI and PBS to
our
> > cluster at Wright State University. Below is the script that i have used
> > is
> >
> > ------------
> > # AMBER7 Example Batch Script for maxx
> > # #PBS -N pti
> > #PBS -j oe
> > #PBS -m ae
> > #PBS -l cput=00:2:00
> > #PBS -l nodes=2:ppn=2
> > #PBS -S /bin/bash
> > set echo
> > # set WORK=$HOME/newtest
> > set TMPDIR=$HOME/newtemp
> > cd $TMPDIR
> > #
> > set MDIN=min.in
> > set MDOUT=min.out
> > set PRMTOP=xtop
> > set INPCRD=xcrd
> > set REFC=xcrd
> > set RESTRT=pti.rstrt
> > cp $WORK/$MDIN .
> > cp $WORK/$PRMTOP .
> > cp $WORK/$INPCRD .
> > cp $WORK/$REFC .
> > #
> > /usr/local/bin/mpiexec $AMBERHOME/exe/sander -O -i $MDIN -o $MDOUT -p
> > $PRMTOP -c $INPCRD -ref $REFC -r $RESTRT ls -al cp $MDOUT $RESTRT $WORK
> >
> > ------------------------------------
> >
> > when i execute it using the command
> >
> > qsub name.pbs
> >
> > i am getting the error message
> >
> > ----------
> > mpiexec: Error: get_hosts: pbs_connect: Unknown PBS error 101.
> > ----------
> >
> > can anyone help me what this error means.
> >
> > Regards
> > -Venkat
> >
> >
> >
>
>
Received on Wed Apr 02 2003 - 20:53:02 PST
