[gmx-users] Workstation choice

[Olga Selyutina]

Hi,
A lot of thanks for valuable information.
If it isn’t difficult for you, could you answer how the growth of
performance under using the second GPU on the single simulation was changed
in GROMACS 2018 vs older versions (2016, 5.1, it was 20-30% higher)?


2018-09-07 23:25 GMT+07:00 Szilárd Páll <pall.szilard at gmail.com>:

>
> Are you intending to use it mostly/only for running simulations or also as
> a desktop computer?
>
> Yes, it will be mostly used for simulations.


> I'm not on the top of pricing details so you should probably look at some
> configs and get back with concrete CPU + GPU (+price) combinations and we
> might be able to guesstimate what's best.
>
>
These sets of CPU and GPU are suitable for price (in our region):
*GPU*
GTX 1070 ~1700MHz, cuda 1920 - $514
GTX 1080 ~1700MHz, cuda 2560 - $615
GTX 1070Ti ~1700MHz, cuda 2432 - $615
GTX 1080Ti ~1600MHz, cuda 3584 - $930

*CPU*
Ryzen 7 2700X - $357
4200MHz, 8/16 cores/threads, cache L1/L2/L3 768KB/4MB/16MB, 105W, max.T 85C

Threadripper 1950X - $930
4000MHz, 16/32 cores/threads, cache  L1/L2/L3 1.5/8/32MB, 180W, max.T 68C

i7 8086K - $515
4800MHz, 6/12 cores/threads, cache L2/L3 1.5/12MB, 95W, max.T 100C

i7 8700K - $442
4600MHz, 6/12 cores/threads, cache L2/L3 1.5/12MB, 95W, max.T 100C

The most suitable combinations CPU+GPU are as follows:
1) Ryzen 7 2700X + two GTX 1080 - $1587
1.1) Ryzen 7 2700X + one GTX 1080 + one GTX 1080*Ti* - $1900 (maybe?)
2) Threadripper 1950X + one GTX 1080Ti - $1860
3) i7 8700K + two GTX 1080 - $1672
4) Ryzen 7 2700X + three GTX 1070 - $1900
My suggestions:
Variant 1 seems to be the most suitable.
Variant 2 seems to be suitable only if the single simulation is running on
workstation
It’s a bit confusing that in synthetic tests/games performance of i7 8700
is higher than Ryzen 7 2700.
Thanks a lot again for your advice, it has already clarified a lot!



-- 
Best regards, Olga Selyutina