[Pw_forum] Running in Parallel

Hooman Yaghoobnejad Asl hynr8 at mst.edu
Thu Feb 11 20:38:02 CET 2016


Greetings,

I believe the number of nodes (-nodes = integer) forces the number of nodes
on which the specified number of CPUs will be used; in other words it is
designed for cases where you want to force all your calculations to land on
a single node to minimize the inter-node message pass. if you need more
CPUs you need to specify that in the BATCH file ( -ntask = integer).

Regards

On Thu, Feb 11, 2016 at 1:21 PM, Mofrad, Amir Mehdi (MU-Student) <
amzf5 at mail.missouri.edu> wrote:

> Dear all QE users and developers,
>
>
> I want to run Quantum Espresso on a cluster using SLURM. My problem is
> that whenever I request for one node in my batch file and say 24
> processors, on my output file I can see it says that it has run on 24
> processors. However, when I request for more than one node (say 10 nodes)
> and this time 12 processors (which would be 120 processors overall), on my
> output file it shows 12 processors but not 120 processors.
>
> I was wondering if anyone has worked with SLURM and would help me what the
> problem is.
>
>
> Best,
>
>
> Amir M. Mofrad
>
>
>
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>



-- 

*Hooman Yaghoobnejad*

*PhD candidate, Department of Chemistry*

*Missouri University of Science and Technology*

*Rolla, MO 65401*
*USA*
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