I want to buy a system to run the molecular dynamics of proteins by gromacs. Now, I have two options to buy the best system. which system could be faster for my MD analysis?
system A: COY intel xeon e1226 3.3GHz, 8mb cashe, 32gb DDR3 RAM, HDD 2TR, power 250r.
system B: Mainboard : ASUS - X99-A NEW - Socket 20 11 Series
cpu : Intel Core i7 5820 K
RAM : G.SKILL Ripjaws 4 series 16GB (4 x 4GB) 288-Pin 2666 (PC4-21300) CL 15 RED
Vga : geforce g 730 4G Real
H.d.d : Western Digital 1TB 64 Mb Buffer 7200 RPM
Power : cable manage 630 W Real Redmax Dual Cooling Fan
DVD RW : Asus 24X
case : optional Cable Manage ( DEEP COOL Pro Series )
best regards,
Hi Sako,
You could consider NVIDIA GPU acceleration. I'm an AMBER user...and I dont know the MD routines that Gromacs have implemented in GPU...but the time gained with this hardware has no comparison!
Dear Dr.Umashankar Vetrivel ,
so, I think neither of them is suitable. am I right?
Hello Sako , work with a similar machine to your Option B without problems. Ideally run on servers or clusters, but you can work with the B option, of course slower.
Dear Sako Mirzaie,
It depends of course in the size of the system, but in principle it runs ok in local, I am using even less ram and I get job done. Te biggest system I used was 40.000 atoms system and still can get results. So I would go for B, the motherboard should go fast to transfer data and manage it.
Good luck!!
Dea Sako,
I would recommend you to buy the Exxact Corp's GPU systems specially designed and optimized with Gromacs. A detailed description of scale up and specifications will be available in this page http://exxactcorp.com/testdrive/GROMACS/
Note: We are using Exxact Corp's certified GPUs and its fast efficient and absolutely a best buy for researchers.
Best wishes,
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