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

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