Advice for Building a Desktop for Scientific Computing

george_h

Reputable
Dec 2, 2015
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Dear Members,

I am planning to buy a desktop machine for scientific computing (and also for office work). I have chosen a hardware list and I would like to get your opinion on the configuration:

SSD: SANDISK SSD EXTREME PRO 240GB
HDD: TOSHIBA 3T SATA 7200T 64
Motherboard: ASUS X99-PRO/USB3
Memory: CRUCIAL BALLISTIX DDR4 16GB (4*4) BLS4C4G4D240FSB
CPU: INTEL CPU I7-5820K
GPU: GIGABYTE GV-N980G1 GAMING-4GD
Pow.Suppl.: CORSAIR BUILDER SERIES VS650 V2.0 80+

Apparently the CPU comes without cooling. Could you also suggest for me an appropriate cooler?

Thank you very much.
George
 
Solution
The Noctua is also a down-draft cooler so helps cool the motherboard and power delivery parts for extended computing sessions. It will allow a better overclock should that be desirable.

The two 970s works only if your software can take advantage of them, but it is an option if it does work for you. Both of those coolers mount on LGA 2011-3 motherboard and have mounting kits included with them.

The Noctua is a significantly better cooler. Your CPU is a 140W CPU and the Cooler Master is rated for 150W. The Noctua is rated for 200W, which you would need if you overclock. I would prefer the Noctua for a system running hard for hours on an end.
I would recommend the following:

[PCPartPicker part list](http://uk.pcpartpicker.com/p/Z7MNdC) / [Price breakdown by merchant](http://uk.pcpartpicker.com/p/Z7MNdC/by_merchant/)

Type|Item|Price
:----|:----|:----
**CPU** | [Intel Core i7-5820K 3.3GHz 6-Core Processor](http://uk.pcpartpicker.com/part/intel-cpu-bx80648i75820k) | £299.99 @ Ebuyer
**CPU Cooler** | [Cooler Master Hyper 212 EVO 82.9 CFM Sleeve Bearing CPU Cooler](http://uk.pcpartpicker.com/part/cooler-master-cpu-cooler-rr212e20pkr2) | £24.95 @ Novatech
**Motherboard** | [Asus X99-PRO/USB 3.1 ATX LGA2011-3 Motherboard](http://uk.pcpartpicker.com/part/asus-motherboard-x99prousb31) | £266.12 @ Dabs
**Memory** | [Crucial Ballistix Sport 16GB (4 x 4GB) DDR4-2400 Memory](http://uk.pcpartpicker.com/part/crucial-memory-bls4k4g4d240fsa) | £86.69 @ Overclockers.co.uk
**Storage** | [Sandisk Extreme Pro 240GB 2.5" Solid State Drive](http://uk.pcpartpicker.com/part/sandisk-internal-hard-drive-sdssdxps240gg25) | £85.82 @ CCL Computers
**Case** | [Corsair 750D ATX Full Tower Case](http://uk.pcpartpicker.com/part/corsair-case-750d) | £126.95 @ Amazon UK
**Power Supply** | [SeaSonic 450W 80+ Gold Certified Semi-Modular ATX Power Supply](http://uk.pcpartpicker.com/part/seasonic-power-supply-ssr450rm) | £72.99 @ Amazon UK
**Optical Drive** | [Samsung SH-224DB/BEBE DVD/CD Writer](http://uk.pcpartpicker.com/part/samsung-optical-drive-sh224dbbebe) | £9.00 @ CCL Computers
| *Prices include shipping, taxes, rebates, and discounts* |
| **Total** | **£972.51**
| Generated by [PCPartPicker](http://pcpartpicker.com) 2015-12-02 17:15 GMT+0000 |

The Corsair VS PSU is not good - get a much more reliable model from seasonic, xfx, evga etc.
I couldn't see from your post that you have a particular need for an expensive graphics card as you said the pc was for office work and calculations.
I added a case, assuming you need one.

If you give us your budget then we can really drill down on the best spec for you.

 
Definitely need a software list and approximation of load for the machine.

Budget, yes.

The graphics card alone calls for 600W or at least two 8 pin connectors.
I'm assuming the GPU will be used by the software for its CUDA units?

You could also go XEON for more sustained througput/
 
Thank you very much for the answers (especially for suggesting the cooler)!

I will be running heavily GPU-aided calculations (with molecular dynamics codes like gromacs or lammps) that is why I chose such a robust graphics card.
My budget is 2000 euros and the hardware I picked (with screen, keyboard, case and optical driver) fits this budget (I live in France, prices are a bit different)

I had in mind a smaller case but I guess from your suggestion that I really need an ATX tower, right?

 
Built using German prices and with an even more robust GPU.

PCPartPicker part list / Price breakdown by merchant

CPU: Intel Core i7-5820K 3.3GHz 6-Core Processor (€426.94 @ Mindfactory)
CPU Cooler: Noctua NH-C14S 82.5 CFM CPU Cooler (€74.90 @ Amazon Deutschland)
Motherboard: ASRock X99 Extreme4 ATX LGA2011-3 Motherboard (€221.84 @ Mindfactory)
Memory: G.Skill Ripjaws 4 series 16GB (4 x 4GB) DDR4-2666 Memory (€129.12 @ Mindfactory)
Storage: Samsung 850 EVO-Series 250GB 2.5" Solid State Drive (€86.96 @ Mindfactory)
Storage: Seagate Barracuda 3TB 3.5" 7200RPM Internal Hard Drive (€100.78 @ Mindfactory)
Video Card: MSI GeForce GTX 980 Ti 6GB Video Card (€684.99 @ Mindfactory)
Case: Cooler Master N300 ATX Mid Tower Case (€52.52 @ Mindfactory)
Power Supply: XFX XTR 650W 80+ Gold Certified Fully-Modular ATX Power Supply (€109.90 @ Caseking)
Operating System: Microsoft Windows 8.1 DE OEM (64-bit) (€104.90 @ Caseking)
Total: €1992.85
Prices include shipping, taxes, and discounts when available
Generated by PCPartPicker 2015-12-03 17:29 CET+0100

3072 CUDA

If you can use more CUDA, then something like this might be better.

PCPartPicker part list / Price breakdown by merchant

CPU: Intel Core i7-5820K 3.3GHz 6-Core Processor (€426.94 @ Mindfactory)
CPU Cooler: Noctua NH-C14S 82.5 CFM CPU Cooler (€74.90 @ Amazon Deutschland)
Motherboard: ASRock X99 Extreme4 ATX LGA2011-3 Motherboard (€221.84 @ Mindfactory)
Memory: G.Skill Ripjaws 4 series 16GB (4 x 4GB) DDR4-2666 Memory (€129.12 @ Mindfactory)
Storage: Samsung 850 EVO-Series 250GB 2.5" Solid State Drive (€86.96 @ Mindfactory)
Storage: Seagate Barracuda 3TB 3.5" 7200RPM Internal Hard Drive (€100.78 @ Mindfactory)
Video Card: Gigabyte GeForce GTX 970 4GB Video Card (2-Way SLI) (€343.00 @ Amazon Deutschland)
Video Card: Gigabyte GeForce GTX 970 4GB Video Card (2-Way SLI) (€343.00 @ Amazon Deutschland)
Case: Cooler Master N300 ATX Mid Tower Case (€52.52 @ Mindfactory)
Power Supply: XFX TS 750W 80+ Gold Certified ATX Power Supply (€95.89 @ Amazon Deutschland)
Operating System: Microsoft Windows 8.1 DE OEM (64-bit) (€104.90 @ Caseking)
Total: €1979.85
Prices include shipping, taxes, and discounts when available
Generated by PCPartPicker 2015-12-03 17:32 CET+0100

1664 x2 CUDA.
 
Then again, if you are doing scientific calculations that need GPU power then you proabably need
double precision for accuracy and to get that you should consider the quadro series because it is
about four times as fast. The other thing is that a mini workstation based on a Xeon just keeps on
ticking day after day using a stock cooler and a cool GPU unit.

PCPartPicker part list / Price breakdown by merchant

CPU: Intel Xeon E3-1241 V3 3.5GHz Quad-Core Processor (€290.40 @ Mindfactory)
Motherboard: MSI H87M-G43 Micro ATX LGA1150 Motherboard (€112.51 @ Amazon Deutschland)
Memory: Corsair Vengeance 32GB (4 x 8GB) DDR3-1600 Memory (€175.71 @ Mindfactory)
Storage: Samsung 840 Pro Series 256GB 2.5" Solid State Drive (€199.95 @ Amazon Deutschland)
Storage: Seagate 2TB 3.5" 7200RPM Internal Hard Drive (€86.96 @ Mindfactory)
Video Card: PNY Quadro K4200 4GB Video Card (€875.99 @ Amazon Deutschland)
Case: Aerocool DS Cube Black Edition Silent Cube MicroATX Mini Tower Case (€92.00 @ Amazon Deutschland)
Power Supply: XFX ProSeries 450W 80+ Bronze Certified ATX Power Supply (€52.25 @ Amazon Deutschland)
Total: €1885.77
Prices include shipping, taxes, and discounts when available
Generated by PCPartPicker 2015-12-03 19:24 CET+0100
 
Thanks for all answers.

I have not thought about having two slightly weaker GPUs but will discuss the possibility with my colleagues.

For the CPU cooler, you guys suggested two models: Cooler Master Hyper 212 EVO 82.9 CFM Sleeve Bearing CPU Cooler (http://uk.pcpartpicker.com/part/cooler-master-cpu-cooler-rr212e20pkr2) and Noctua NH-C14S 82.5 CFM CPU Cooler (http://de.pcpartpicker.com/part/noctua-cpu-cooler-nhc14s).
This second one seems to be attached to the motherboard from the bottom, but the mother board suggested above don't seem to have a hole(?) for that - at least I don't see how they could be attached otherwise to the motherboard.
So in the end I think I will go for the cooler master.

For the case, I will get a mid tower; should be enough, I guess.

Thanks again for the suggestions.
 
Either of those coolers will fit your motherboard, they screw into the 4 holes around the CPU like many other coolers.

The Noctua will actually keep your cpu cooler, with the Cooler Master being a great 'value' cooler.

If you aren't overclocking I think either would be fine.

Mid-tower should be plenty of room yes, although if you think you are likely to add a lot more to this build then maybe a full tower would be better.
 
The Noctua is also a down-draft cooler so helps cool the motherboard and power delivery parts for extended computing sessions. It will allow a better overclock should that be desirable.

The two 970s works only if your software can take advantage of them, but it is an option if it does work for you. Both of those coolers mount on LGA 2011-3 motherboard and have mounting kits included with them.

The Noctua is a significantly better cooler. Your CPU is a 140W CPU and the Cooler Master is rated for 150W. The Noctua is rated for 200W, which you would need if you overclock. I would prefer the Noctua for a system running hard for hours on an end.
 
Solution