[gmx-users] Xeon W family vs scalable

[paul buscemi]

Hi,
Unless you are studying large systems ( 10e6 atoms ) do as Carsten suggests.   Get a good Intel  or AMD 8 core and the best GPU you can afford.  Don’t worry too much about the speed of the CPU either.  3.2 Ghz is fine.

p

> On Jun 9, 2019, at 6:43 AM, Kutzner, Carsten <ckutzne at gwdg.de> wrote:
> 
> Hi,
> 
> don’t spend all your money on a CPU - for high GROMACS performance
> the GPU is as important. I would recommend to add an RTX 2070/80 GPU
> to the workstation, and get a cheaper CPU. This will most likely
> give you a significantly higher GROMACS performance. 
> See https://arxiv.org/abs/1903.05918
> 
> Best,
>  Carsten
> 
> 
>> On 9. Jun 2019, at 05:32, 강동우 <dongwoo0701 at kaist.ac.kr> wrote:
>> 
>> Dear all gromacs users,
>> 
>> I'm now about to configure workstation for gromacs.
>> 
>> I searched on the internet, and I could find some information from
>> servethehome.
>> 
>> But in here (
>> https://www.realworldtech.com/forum/?threadid=181985&curpostid=182058)
>> 
>> Somebody said that Xeon W-2145 will be faster than anything in the chart
>> (gold 6136, 6138, etc)
>> 
>> Xeon W family is relatvely cheaper than scalable family, but I cannot sure
>> whethere this is true or not, because I cannot find any benchmark data of
>> W-family in gromacs
>> 
>> Does anybody know about the performance of xeon w-family in gromacs? My
>> system will not be large (<80K atoms with C1, C2, C3, and water molecules).
>> 
>> Dong Woo Kang
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