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

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

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 resol

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

2024-05-24 Thread Hongyi Zhao via slurm-users
> b) the number of nodes involved: when using mpirun you might run things > on more than one node. This is a single-node cluster with two sockets. > Regards, > Hermann Regards, Zhao > On 5/24/24 15:32, Hongyi Zhao via slurm-users wrote: > > Dear Slurm Users, > > >

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

2024-05-24 Thread Hongyi Zhao via slurm-users
n the two might be > > a) the communication channel/interface that is used. > > I tried to use `mpirun', `mpiexec', and `srun --mpi pmi2', and they > all have similar behaviors as described above. > > > b) the number of nodes involved: when using mpirun you might run

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

2024-05-24 Thread Hongyi Zhao via slurm-users
25da8c8dfb4a99365b54c8#%E5%85%B3%E9%97%AD%E5%A4%84%E7%90%86%E5%99%A8%E8%B6%85%E7%BA%BF%E7%A8%8B Regards, Zhao > > > > > Another difference between the two might be > > > a) the communication channel/interface that is used. > > > > I tried to use `mpirun', `mpi

[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.

2024-05-27 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 appli

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

2024-05-28 Thread Hongyi Zhao via slurm-users
-- Forwarded message - From: Hermann Schwärzler Date: Tue, May 28, 2024 at 4:10 PM Subject: Re: [slurm-users] Re: Performance Discrepancy between Slurm and Direct mpirun for VASP Jobs. To: Hongyi Zhao Hi Zhao, On 5/28/24 03:08, Hongyi Zhao wrote: [...] > > What's the complete c