#!/bin/sh
cd /u/francis/bc019267/dimer_calc
date +'%d-%b-%Y %H:%M:%S'
lamboot -v $PBS_NODEFILE
cyana  -t intel-lam -c 'mpirun -x CYANALIB -np 17' << EOF
erract:=abort
nproc=16
NOEASSIGN  
quit
EOF
lamhalt
echo
date +'%d-%b-%Y %H:%M:%S'