Originally Posted by
scaryjim
Intriguing - clearly shows your bottleneck isn't core count, so perhaps pushing for the greater core number isn't the way to go? You've either got a single thread bottleneck (most likely scenario, IMNSHO), a memory bandwidth problem (on a quad channel system? Scary if that's true), an IO issue (did the i7 and Xeon systems have the same storage subsystem?), or (least likely) the code uses an instruction that's accelerated in Ivy Bridge but not in Sandy Bridge.
OK, that's a lot of waffle, but what it boils down to is needing to work out why the Xeon machine is slower - if it's a single thread bottleneck then you should really go for the fastest stock clock speed available (i7 6850k); if it's bandwidth then you need the bandwidth of DDR4 (but might not need the extra cores/clockspeed), if it's IO then you probably want the largest memory capacity available (which should be a fully populated dual Xeon system), and if it's instructions then anything newer than Sandy Bridge should be better.
The other thing to consider is whether the work can be distributed - if the fluid simulations can be run separately on another machine you could get a cheaper consumer-grade rig which will have much higher clockspeeds, just for running the fluid simulations.
Also - is this work, side projects, just for fun, potential future career, university/training/education? Each situation would make me look at the problem differently...