Configuration for molecular simulations

Dear all,

I am considering buying the following workstation for scientific purposes:

• two Intel® Xeon® Silver 4114 10 core (2,2 GHz, 3,0 GHz Turbo, 13,75M cache L3)
• ASUS® WS C621E SAGE (DDR4 RDIMM, 6 Gb/s, CrossFireX/SLI)
• RAM DDR4 Kingston 2666 MHz 64 GB ECC (2 da 32 GB)
• Two NVIDIA GEFORCE GTX 1070 Ti 8 GB – DVI, HDMI, 3 DP – GeForce GTX VR-ready!
• Two HDD SEAGATE BARRACUDA SATA-III 3,5" DA 4 TB, 6 GB/s, 5400 GIRI/MIN., 256 MB CACHE
• SDD SAMSUNG 970 PRO M.2 512 GB, NVMe PCIe (fino a 3500 MB/R, 2300 MB/W)
• CORSAIR 1600W PRO SERIES™ TITANIUM AX1600i
• Monitor s ASUS VC239H 23" IPS

Do you see any problems installing Ubuntu on such system? Any idea/suggestion is welcome!

Thank you for your help

Sandro

What is your budget, and how much does the above cost?

I'm wondering whether an AMD Ryzen / Threadripper system would give you more cores for a lower price.

Or is it the ECC RAM you need?

I have no experience of that CPU or mobo but have put Ubuntu on a mixture of PCS machines with no major problems, the usual sort of thing, needing nomodset at times and some GPU drivers force a log in loop but neither has been insurmountable.

Those HDDs you have chosen are only 5400rpm, I know speed for storing data is not a big thing but you may find there are 7200rpm SATA HDDs around the same price and the standard ones are as good as the named ones these days.

Thanks both.
The software I need to run is optimized (and more tested) on intel processors, hence the choice. The price is 5500 eur including VAT (Italy), two screens and 3 years warranty.
Thanks for the suggestion - I will check out the 7200rpm HDDs.

I chose a 1600W power supply because I have two CPUs and with two GPUs - do you think it is proportionate?

Do you mean the 3 years Standard warranty? I do not think the others are worth it as do not think shipping outside of the UK is part of it, worth checking.

What is the software that you use exactly?

GROMACS:
https://en.wikipedia.org/wiki/GROMACS

Fantastic looking bit of software, it is way above me at the moment but I am using my retirement time to go back to studying with the Open University, I loved all sciences at school but now can do them for fun which is a lot better and hopefully I will be able to properly appreciate GROMACS in the future.