[slurm-users] Performance Discrepancy between Slurm and Direct mpirun for VASP Jobs.

Dear Slurm Users, I am experiencing a significant performance discrepancy when running the same VASP job through the Slurm scheduler compared to running it directly with mpirun. I am hoping for some insights or advice on how to resolve this issue. System Information: Slurm Version: 21.08.5 OS: U

[slurm-users] Re: Performance Discrepancy between Slurm and Direct mpirun for VASP Jobs.

On Fri, May 24, 2024 at 9:32 PM Hongyi Zhao wrote: > > Dear Slurm Users, > > I am experiencing a significant performance discrepancy when running > the same VASP job through the Slurm scheduler compared to running it > directly with mpirun. I am hoping for some insights or advice on how > to resol

[slurm-users] Re: Performance Discrepancy between Slurm and Direct mpirun for VASP Jobs.

Hi Zhao, my guess is that in your faster case you are using hyperthreading whereas in the Slurm case you don't. Can you check what performance you get when you add #SBATCH --hint=multithread to you slurm script? Another difference between the two might be a) the communication channel/interf

[slurm-users] Re: Performance Discrepancy between Slurm and Direct mpirun for VASP Jobs.

On Sat, May 25, 2024 at 12:02 AM Hermann Schwärzler via slurm-users wrote: > > Hi Zhao, > > my guess is that in your faster case you are using hyperthreading > whereas in the Slurm case you don't. > > Can you check what performance you get when you add > > #SBATCH --hint=multithread > > to you slu

[slurm-users] Re: Performance Discrepancy between Slurm and Direct mpirun for VASP Jobs.

On Sat, May 25, 2024 at 7:50 AM Hongyi Zhao wrote: > > On Sat, May 25, 2024 at 12:02 AM Hermann Schwärzler via slurm-users > wrote: > > > > Hi Zhao, > > > > my guess is that in your faster case you are using hyperthreading > > whereas in the Slurm case you don't. > > > > Can you check what perfor

[slurm-users] Re: Performance Discrepancy between Slurm and Direct mpirun for VASP Jobs.

On Sat, May 25, 2024 at 9:49 AM Hongyi Zhao wrote: > > On Sat, May 25, 2024 at 7:50 AM Hongyi Zhao wrote: > > > > On Sat, May 25, 2024 at 12:02 AM Hermann Schwärzler via slurm-users > > wrote: > > > > > > Hi Zhao, > > > > > > my guess is that in your faster case you are using hyperthreading > >

[slurm-users] Re: Performance Discrepancy between Slurm and Direct mpirun for VASP Jobs.

On Sat, May 25, 2024 at 10:06 AM Hongyi Zhao wrote: > > On Sat, May 25, 2024 at 9:49 AM Hongyi Zhao wrote: > > > > On Sat, May 25, 2024 at 7:50 AM Hongyi Zhao wrote: > > > > > > On Sat, May 25, 2024 at 12:02 AM Hermann Schwärzler via slurm-users > > > wrote: > > > > > > > > Hi Zhao, > > > > > >