[Wien] running wien2k on cluster

[Laurence Marks]

As constructed your .machines file will only run lapw0 using mpi, and
is missing lines for how to run lapw1. User error.

On Wed, Apr 26, 2017 at 4:15 PM, ahmed amine <ahmedamine_dz at hotmail.fr> wrote:
> Hello,
>
> i have problem running on a cluster, I can't run paralel calculation
>
> dayfile
> start       (mer. avril 26 21:48:01 CET 2017) with lapw0 (40/99 to go)
>
>     cycle 1     (mer. avril 26 21:48:01 CET 2017)       (40/99 to go)
>
>>   lapw0 -p    (21:48:01) starting parallel lapw0 at mer. avril 26 21:48:16
>> CET 2017
> -------- .machine0 : 24 processors
> 0.030u 0.080s 0:12.95 0.8%      0+0k 0+304io 0pf+0w
>>   lapw1  -p   -c      (21:48:24) starting parallel lapw1 at mer. avril 26
>> 21:48:39 CET 2017
> ->  starting parallel LAPW1 jobs at mer. avril 26 21:48:44 CET 2017
> running LAPW1 in parallel mode (using .machines)
> running lapw1c in single mode
>
> i have this error in job.out
> /tmp/slurmd/job03057/slurm_script: line 12: hostlist : commande introuvable
>
> .machine
> lapw0: :24
> granularity:1
> extrafine:1
>
> i'm using this slurm script
>
> #!/bin/bash
> #SBATCH --mem=1024
> #SBATCH --ntasks=12
> #SBATCH --nodes=2
> #SBATCH --output=job.out
>
> # set .machines for parallel job
> # lapw0 running on one node
> echo -n "lapw0: " > .machines
> echo -n $(hostlist -e $SLURM_JOB_NODELIST | tail -1) >> .machines
> echo "$i:24" >> .machines
>
> echo granularity:1 >> .machines
> echo extrafine:1   >> .machines
>
> run_lapw -p -NI
>



-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what
nobody else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
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