[Wien] running wien2k on cluster

[Gavin Abo]

Also, it looks like job.out tells you that the problem is:

slurm_script: line 12: hostlist : command not found

My guess is that whomever setup slurm didn't get it from the slurm 
download website [1] and install it. If pip is installed, it can likely 
be installed using [2]:

sudo pip install python-hostlist

For one mpi job on each node using slurm, refer to [3].

References

[1] https://slurm.schedmd.com/download.html
[2] https://packaging.python.org/installing/#use-pip-for-installing
[3] 
https://www.nsc.liu.se/systems/triolith/software/triolith-software-apps-wien2k.html

On 4/26/2017 3:22 PM, Laurence Marks wrote:
> 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
>>
>
>