[Wien] PBS run

[Gavin Abo]

You might have a look at the "WIEN2k-notes of the University of Texas" 
document (slide 7) at:

http://susi.theochem.tuwien.ac.at/reg_user/faq/pbs.html

The line:

echo -n 'lapw0:' > .machines

It looks like that writes to the .machines file:

lapw0:

However, you need to have it write the "machine names" after it. So 
something like:

lapw0:gamma:2 delta:2 epsilon:4

However, you are having it write:

lapw0:granularity:1

Thus, the error about it not being able to find and connect to a 
hostname called "granularity".

On 9/8/2017 2:41 AM, Subrata Jana wrote:
> Hi Gavin Abo,
> It looks I am facing the same problem.
>
> ##############################
>
> #!/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
> export OMP_NUM_THREADS=1
> cd /home/sjana/WIEN2k/PBE/C_pbe
> rm -f .machines
>
> #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
> 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
> run_lapw -p -i 40 -ec .0001 -I
> #############################################
>
> My .machines file looks like
>
>
> lapw0:granularity:1
> 1:r8n3:1
> extrafine:1
>
>
> out.log
>
> ssh: Could not resolve hostname granularity: Name or service not known^M
>
> >   stop error
>
> Regards,
> S. Jana
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