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

2024-05-27 Thread Hermann Schwärzler via slurm-users
Hi everbody, On 5/26/24 08:40, Ole Holm Nielsen via slurm-users wrote: [...] Whether or not to enable Hyper-Threading (HT) on your compute nodes depends entirely on the properties of applications that you wish to run on the nodes.  Some applications are faster without HT, others are faster

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

2024-05-27 Thread Hongyi Zhao via slurm-users
On Mon, May 27, 2024 at 2:59 PM Bjørn-Helge Mevik via slurm-users wrote: > > Ole Holm Nielsen via slurm-users writes: > > > Whether or not to enable Hyper-Threading (HT) on your compute nodes > > depends entirely on the properties of applications that you wish to > > run on the nodes. Some

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

2024-05-27 Thread Bjørn-Helge Mevik via slurm-users
Ole Holm Nielsen via slurm-users writes: > Whether or not to enable Hyper-Threading (HT) on your compute nodes > depends entirely on the properties of applications that you wish to > run on the nodes. Some applications are faster without HT, others are > faster with HT. When HT is enabled, the

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

2024-05-26 Thread Ole Holm Nielsen via slurm-users
On 25-05-2024 03:49, Hongyi Zhao via slurm-users wrote: Ultimately, I found that the cause of the problem was that hyper-threading was enabled by default in the BIOS. If I disable hyper-threading, I observed that the computational efficiency is consistent between using slurm and using mpirun

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

2024-05-24 Thread Hongyi Zhao via slurm-users
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, > > > > >

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

2024-05-24 Thread Hongyi Zhao via slurm-users
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.

2024-05-24 Thread Hongyi Zhao via slurm-users
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

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

2024-05-24 Thread Hongyi Zhao via slurm-users
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

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

2024-05-24 Thread Hermann Schwärzler via slurm-users
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

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

2024-05-24 Thread Hongyi Zhao via slurm-users
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