[Wien] PBS run

[Subrata Jana]

Hi Gavin Abo,
I change my job script as follows:

#################################
#!/bin/bash
#PBS -N wien2k
#PBS -o out.log
#PBS -j oe
#PBS -l nodes=1:ppn=1

# Load Intel environment
source /apps/intel_2016_u2/compilers_and_libraries_2016.2.181/linux/bin/compilervars.sh
intel64

cd /home/sjana/WIEN2k/PBE/C_pbe
rm -f .machines
echo '#' > .machines
*echo -n 'lapw0:' > .machines*
echo 'granularity:1' >>.machines
awk '{print "1:"$1":1"}' $PBS_NODEFILE >>.machines
echo 'extrafine:1' >>.machines
/home/sjana/WIEN2k_14.2/run_lapw -p -i 40 -ec .0001 -I
###########################################

Now the out.log

awk: cmd. line:1: fatal: cannot open file `-np' for reading (No such file
or directory)
ssh: Could not resolve hostname granularity: Name or service not known^M

>   stop error

Regards,
S. Jana
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170908/a566ddff/attachment.html>