[CP2K-user] cp2k on 10 GbE

[Anton Kudelin]

Try to employ MPICH or its derivatives (MVAPICH) configured with 
--with-device=ch3:nemesis

среда, 28 ноября 2018 г., 14:35:04 UTC+3 пользователь Peter Kraus написал:
>
> Dear Mike,
>
> I have tried to use CP2K on our cluster with nodes connected using 10 GbE, 
> and all I see is a very significant slowdown. This was using gcc-8.2.0, 
> openmpi-3.1.1 and OpenBLAS/fftw/scalapack compiled using the two with 
> OpenMP enabled where possible. I've resorted to submitting "SMP"-like jobs 
> (by selecting the smp parallel environment, but parallelising using both 
> MPI and OpenMP). 
>
> If you figure out how to squeeze extra performance from the 10GbE, please 
> let me know.
>
> Best,
> Peter
>
> On Monday, 12 November 2018 18:01:48 UTC+1, Mike Ruggiero wrote:
>>
>> Hello cp2k community - I have recently setup a small computing cluster, 
>> with 20-24 core server nodes linked via 10 GbE connections. While scaling 
>> on single nodes is as it should be (i.e., nearly linear), I get very 
>> little-to no scale up when performing multiple node simulations. After 
>> digging around, it seems that this is relatively well known for cp2k, but 
>> I'm curious if anyone has had any success on using cp2k over 10 GbE 
>> connections. Any advice would be greatly appreciated! 
>>
>> Best,
>> Michael Ruggiero  
>>
>
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