[Pw_forum] IS DUAL CORE 2.7 GHz, 2GB RAM SUFFICIENT FOR QE calculations??

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Wed Jul 23 10:08:36 CEST 2014


On 07/23/2014 08:55 AM, siddheshwar chopra wrote:
> Ashkan how about studying molecules with QE? As far as I read, we use 
> 1x1x1 k-point (Gamma) only for studying them. Please give your 
> comments on molecule study. Say I need to study magnetic, optical and 
> DOS of molecules. Then is my system sufficient?

I would recommend to use the same money to buy a powerful desktop 
machine instead. The ARM1176 cpu used in the Raspberry Pi is not 
particularly suited for floating-point arithmetic (even if it does 
include hardware floating point). You also have to factor in the slow 
network hardware, and the maintenance nightmare that it would be to keep 
such a cluster running.

Buying 10 RPi would cost ~ 230£, to which you have to add 10 USB power 
and micro usb cables and the network cables and some kind of network 
switch. I would say around 350£ for 20 extremely slow cores. With the 
same money you can probably grab special offer desktop from Dell with 
only 4 cores, but each 4 times faster.

cheers


-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/
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