CPU + motherboard for computational chemistry

H

heyitsmebenjamin

New Member
Hello all. I am about to buy a new:
>> CPU
>> motherboard, and
>> power supply
(I have the other parts)... I would like some advice on what to buy!! I have about $700 to spend for those 3 items.

Here is what the computer will be used for:

** Key point -- intensive calculations for computational chemistry
** It will dual boot Windows + Linux (probably 32 bit, but maybe 64 bit).
** I will NOT be using it for gaming - this machine will only be used for my academic research...i.e., lots of computational chemistry calculations.
** I would like an Intel processor (I think...!)

So, again -- I have $700 for
CPU + Motherboard + Power Supply....
What should I get!!??
Thanks!!!
 
Depends. Does the software you want to use support multithreading? As in, it supports dual/quad/hex core CPU's

This is what I recommend:

CPU: http://www.newegg.com/Product/Product.aspx?Item=N82E16819103851&cm_re=1055t-_-19-103-851-_-Product

Motherboard: http://www.newegg.com/Product/Produ...&cm_re=AM3_motherboard-_-13-131-646-_-Product

RAM: http://www.newegg.com/Product/Produ...0145303&cm_re=4gb_ddr3-_-20-145-303-_-Product

GPU: http://www.newegg.com/Product/Product.aspx?Item=N82E16814500172&cm_re=gts_450-_-14-500-172-_-Product

PSU: http://www.newegg.com/Product/Product.aspx?Item=N82E16817207002&cm_re=xfx_650-_-17-207-002-_-Product

Cost: $628.96 before rebates/shipping.

With a new motherboard you will need DDR3 RAM, and a dedicated video card (just a basic one unless you want something beefy)

The AMD processor is a hexacore. You will want a 64-bit version OS for 4GB of RAM. I picked that RAM because it is fast and cheap, with good CAS latencies

And just to clarify, you have a Hard Drive and Case ready for the rest of the system? Just in case you need help putting everything together, look here:

http://www.computerforum.com/104641-how-build-computer-step-step-photos.html
 
Thanks, but.....

Thanks for your reply!! But I have some more questions! -- I have to be honest -- I have lower-to-mid level of knowledge, in terms of my computer skills / understandings.
Here is what I do know -- the computers in my lab mostly Linux, with Windows + Macs available --- all use Intel processors. I have overheard some of the professors saying that they needed to make sure that the Macs that they just bought have Intel processors, because (I think) they said that Intel processors were needed for they software that they were writing / compiling.
Does this mean that I need to get an Intel processor? Would an AMD processor be ok?
Lastly -- regarding the power supply... I'm kind of cheap, and I want to have an overall set-up that uses the least amount of energy that is reasonably possible.... Should I still go with that power supply that you recommended?


THANKS!!!
 
heyitsmebenjamin said:
Thanks for your reply!! But I have some more questions! -- I have to be honest -- I have lower-to-mid level of knowledge, in terms of my computer skills / understandings.
Here is what I do know -- the computers in my lab mostly Linux, with Windows + Macs available --- all use Intel processors. I have overheard some of the professors saying that they needed to make sure that the Macs that they just bought have Intel processors, because (I think) they said that Intel processors were needed for they software that they were writing / compiling.
Does this mean that I need to get an Intel processor? Would an AMD processor be ok?
Lastly -- regarding the power supply... I'm kind of cheap, and I want to have an overall set-up that uses the least amount of energy that is reasonably possible.... Should I still go with that power supply that you recommended?


THANKS!!!
Click to expand...

AMD is just another CPU maker. Some of their CPUs are inferior to Intel's, but the hexacore in the above build will power through multi threaded tasks. The wattage of PSU doesnt have anything to do with what it drawns from the plug. If your rig uses 300W full load, you will still only be using 300W no matter whether your PSU is 1200W or 400W. I wouldn't reccomend XFX for power supplies, check out OCZ, Antec, Corsair, or Seasonic. You don't need 650W for that rig though, you could save some money by getting a lower-wattage PSU. Check out this.
 
fastdude said:
I wouldn't reccomend XFX for power supplies, check out OCZ, Antec, Corsair, or Seasonic.
Click to expand...

You do know that the XFX are a updated Seasonic design.

Most of OCZ power supplies arent worth buying.

Some of Antec supplies are pretty crappy really.

Corsair HX units are pretty good, but the TX units are not as good as the XFX models.
 
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Will my software work?

Hi again,
I'm a bit confused... Am I correct by saying some software will only work with some processor types?
-- Will it matter if I get an Intel or AMD chip? Would either one work with my applications?
-- And just to help clarify: If I wanted to get a Mac (which I won't), would I have to get one with an Intel processor? or would an old G5 processor work with the applications they use in my lab, on intel-based Macs?

Ok, and here's another piece to the puzzle... What if I now want to spend about
** $300-$400 on the Processor (let's just say it's Intel)
** $250 (-OR LESS-) on the motherboard
** cheapest power supply that does the job well.
 
It should not matter if you have an AMD chip. the difference between AMD's best hexacore and Intel's best hexacore is a bout $700 difference in price (the AMD being $300, the Intel being $1000) and not that much performance difference.

AMD CPU's have all the extensions Intel CPU's have (SSE, MMX etc etc) the only differences would be the socket, architecture and clockspeed

If you buy a new motherboard and processor you will need new RAM, unless you have some DDR3 around already.

If you want to spend more on the CPU and motherboard, while keeping the other components the same:

CPU: http://www.newegg.com/Product/Product.aspx?Item=N82E16819103849&cm_re=1090t-_-19-103-849-_-Product (next model up from the 1055T)

Motherboard: http://www.newegg.com/Product/Product.aspx?Item=N82E16813131644 (one the best AM3 motherboards)
 
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