#!/bin/tcsh
#PBS -S /bin/tcsh
#PBS -N cyana
#PBS -lnodes=10:ppn=4
setenv PATH "/net/n00/opt/openmpi-1.2.4/bin:$PATH"
setenv LD_LIBRARY_PATH /net/n00/opt/openmpi-1.2.4/lib
echo $PATH
echo $LD_LIBRARY_PATH
cd /farm/data/gliu/projects/HR4495E/cyana/calc15
mpirun /farm/software/cyana-3.02-mpi/src/cyana.orig autorun