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I am trying to build a workstation machine for molecular dynamics simulations. I will be using Tesla K20X for performing simulations (requires extensive communication between processors) and Intel-Xeon-E5-2683-V3-QS-2.0Ghz for distributed computing jobs that don't require extensive communication between cpu cores such as molecular docking.

Here are the SPECS:

GPU: NVIDIA-Tesla-K20X-6GB-Kepler-GPU-Graphics-Accelerator (I'll add another when I have more money) 900$

CPU: 2* Intel-Xeon-E5-2683-V3-QS-2.0Ghz (Total of 28 physical cores) 220$ each

Motherboard : ASUS Z10PE-D16 WS LGA2011-v3/ Intel C612 PCH/ DDR4/ Quad CrossFireX and 3-Way SLI/ SATA3&USB3.0/ M.2/ A&V&2GbE/ EEB Server Motherboard. 565$

OR should I go with? ASRock Rack Motherboard EP2C612 WS. 400$

RAM: Crucial 32GB Kit (16GBx2) DDR4-2133 MT/s (PC4-2133) CL15 DR x4 ECC RDIMM Server Memory. 170$

DISK: SanDisk SSD Plus 240GB 2.5-Inch SDSSDA-240G-G25 (70$) I'll have HDDs for storage

Power Supply: EVGA SuperNOVA 1000 P2, 80+ PLATINUM 1000W

Fans: Noctua i4 CPU Cooler for Intel Xeon CPU_ LGA2011, 1356 and 1366 Platforms NH-U12DXi4

Case: Phanteks Enthoo Pro Full Tower Chassis PH-ES614PC_BK (96$)

Are the parts all compatible with each other? Will the motherboard or any other component bottle the performance? I am not quite sure about the case and fans because I've never built a server before. P.S my budget is up to 2600$

Thanks

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    Heya! Sorry to report we don't do tech support questions here at Hardware Recommendations. If you would like, please make this a question about what kind of computer system we would recommend for your molecular dynamics simulations. You can use the system you've speculatively kitted out above as a guideline for us in terms of budget and design.
    – Adam Wykes
    Aug 28 '16 at 21:51
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    I would recommend you edit your question as such, pick a component you absolutely want to keep. Then ask a question framed around that component. Example: I am buying the Intel Xeon E5-2683. I am looking for a compatible motherboard for this processor and my budget is $$$. What motherboard do you recommend? Just a quick tip, socket type on the CPU is important to matching a compatible motherboard. If your motherboard you are dead set on is socket LGA2011, then your CPU needs to be socket type 2011. Aug 29 '16 at 15:48

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