[Wien] ** testerror: Error in Parallel LAPW

[pluto]

Dear Miro,

On my cluster it works by a command

salloc -p cluster_name -N6 sleep infinity &

This particular command allocates 6 nodes. You can find which ones by 
squeue command. Then passworless to these nodes is allowed in my 
cluster. Then in .machines I include the names of these nodes and things 
work.

But there is a big chance that this is blocked in your cluster, you need 
to ask your administrator.

I think srun is the required command within the slurm shell script. You 
should get some example shell scripts from your administrator or 
colleagues who use the cluster.

As I mentioned in my earlier email, Prof. Blaha provides workarounds for 
slurm. If simple ways are blocked, you will just need to implement these 
workarounds. It might not be easy, but setting up cluster calculations 
is not supposed to be easy.

Best,
Lukasz




On 2023-06-21 22:58, Ilias Miroslav, doc. RNDr., PhD. wrote:
> Dear all,
> 
>  ad:
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22588.html
> [1]
> 
>  " In order to use multiple nodes, you need to be able to do
> passwordless ssh to the allocated nodes (or any other command
> substituting ssh). "
> 
>  According to our cluster admin, one  can use (maybe) 'srun' to
> allocate and connect to a batch node.
> https://hpc.gsi.de/virgo/slurm/resource_allocation.html [2]
> 
>  Would  it possible to use  "srun" within Wien2k scripts to run
> parallel jobs please ?  We are using common disk space on that
> cluster.
> 
>  Best, Miro
> 
> 
> Links:
> ------
> [1] 
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22588.html
> [2] https://hpc.gsi.de/virgo/slurm/resource_allocation.html
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