[Wien] threaded run with SLURM

[Gavin Abo]

I believe that is usually controlled with the OMP_NUM_THREADS 
environment variable:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05475.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03997.html

However, I have never really tried using the multiple threads.

On 5/17/2018 3:56 PM, Sabry Moustafa wrote:
> Hi;
>
>
> I am trying to run jobs with one node, with multicores, in a threaded 
> mode in slurm. I tried to run the serial benchmark problem as given here:
>
> http://susi.theochem.tuwien.ac.at/reg_user/benchmark/
>
> But, did not get difference in CPU time with using any number of cores 
> (ntasks-per-node). Here is the most important parts of my serial slurm 
> script:
>
> *******
>
> #SBATCH --nodes=1
> #SBATCH --ntasks-per-node=4
>
> x lapw1
>
> ********
>
> The CPU time should decrease with increasing number of threads as 
> shown in the benchmark page above.
>
> So, is just setting "ntasks-per-node=x" makes WIEN2k run in threaded, 
> not just serial?
>
>
> Thanks;
>
> Sabry