AMBER Archive (2003)

Subject: Using MPI, PBS

From: Venkata S Koppuravuri (kvsuneel_at_linus.bmb.wright.edu)
Date: Wed Apr 02 2003 - 12:58:23 CST

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